Home Other Building Blocks 4-Quinolinecarboxamide, 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-

4-Quinolinecarboxamide, 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-

CAS No.:
174635-69-9
Catalog Number:
AG001ZUA
Molecular Formula:
C26H24N2O
Molecular Weight:
380.4816
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$438
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Product Description
Catalog Number:
AG001ZUA
Chemical Name:
4-Quinolinecarboxamide, 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-
CAS Number:
174635-69-9
Molecular Formula:
C26H24N2O
Molecular Weight:
380.4816
MDL Number:
MFCD00944072
IUPAC Name:
3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
InChI:
InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29)/t22-/m0/s1
InChI Key:
MQNYRKWJSMQECI-QFIPXVFZSA-N
SMILES:
CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1
Properties
Complexity:
523  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
380.189g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
380.491g/mol
Monoisotopic Mass:
380.189g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Literature
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Nonpeptide tachykinin receptor antagonists. II. Pharmacological and pharmacokinetic profile of SB-222200, a central nervous system penetrant, potent and selective NK-3 receptor antagonist. The Journal of pharmacology and experimental therapeutics 20001001
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Properties