Home Carbonyls 2-{[7-(methoxycarbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}benzoic acid

2-{[7-(methoxycarbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}benzoic acid

CAS No.:
327091-28-1
Catalog Number:
AG019KKZ
Molecular Formula:
C18H14N2O5
Molecular Weight:
338.3142
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Product Description
Catalog Number:
AG019KKZ
Chemical Name:
2-{[7-(methoxycarbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}benzoic acid
CAS Number:
327091-28-1
Molecular Formula:
C18H14N2O5
Molecular Weight:
338.3142
MDL Number:
MFCD02708127
IUPAC Name:
2-[(7-methoxycarbonyl-4-oxo-3H-quinazolin-2-yl)methyl]benzoic acid
InChI:
InChI=1S/C18H14N2O5/c1-25-18(24)11-6-7-13-14(8-11)19-15(20-16(13)21)9-10-4-2-3-5-12(10)17(22)23/h2-8H,9H2,1H3,(H,22,23)(H,19,20,21)
InChI Key:
ORZHVONLWFVLRA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nc([nH]c2=O)Cc1ccccc1C(=O)O
Properties
Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.09g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
338.319g/mol
Monoisotopic Mass:
338.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties