Name: Name:3-{3a-methyl-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazolin-4-yl}propanoic acid
Brand: Angene
SKU: AG019LP9
Rating: 90 (10 reviews)

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

CAS No.:

1049605-28-8

Catalog Number:

AG019LP9

Molecular Formula:

C15H16N2O4

Molecular Weight:

288.2985

Catalog Number:

AG019LP9

Chemical Name:

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

CAS Number:

1049605-28-8

Molecular Formula:

C15H16N2O4

Molecular Weight:

288.2985

MDL Number:

MFCD09971612

IUPAC Name:

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

InChI:

InChI=1S/C15H16N2O4/c1-15-8-6-12(18)17(15)11-5-3-2-4-10(11)14(21)16(15)9-7-13(19)20/h2-5H,6-9H2,1H3,(H,19,20)

InChI Key:

UUYRHARWXBHZRU-UHFFFAOYSA-N

SMILES:

OC(=O)CCN1C(=O)c2ccccc2N2C1(C)CCC2=O

Complexity:

492

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.303g/mol

Monoisotopic Mass:

288.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4