Name: Name:4-{3a-methyl-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazolin-4-yl}butanoic acid
Brand: Angene
SKU: AG019LZS
Rating: 90 (10 reviews)

4-{3a-methyl-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazolin-4-yl}butanoic acid

CAS No.:

1049872-98-1

Catalog Number:

AG019LZS

Molecular Formula:

C16H18N2O4

Molecular Weight:

302.3251

Catalog Number:

AG019LZS

Chemical Name:

4-{3a-methyl-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazolin-4-yl}butanoic acid

CAS Number:

1049872-98-1

Molecular Formula:

C16H18N2O4

Molecular Weight:

302.3251

MDL Number:

MFCD09971667

IUPAC Name:

4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)butanoic acid

InChI:

InChI=1S/C16H18N2O4/c1-16-9-8-13(19)18(16)12-6-3-2-5-11(12)15(22)17(16)10-4-7-14(20)21/h2-3,5-6H,4,7-10H2,1H3,(H,20,21)

InChI Key:

CDGSPWQKWAKHGJ-UHFFFAOYSA-N

SMILES:

OC(=O)CCCN1C(=O)c2ccccc2N2C1(C)CCC2=O

Complexity:

506

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.33g/mol

Monoisotopic Mass:

302.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8