4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid

C16H19N3O4 — CID 119137206

IUPAC4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H19N3O4/c1-18(9-4-7-15(21)22)14(20)8-10-19-11-17-13-6-3-2-5-12(13)16(19)23/h2-3,5-6,11H,4,7-10H2,1H3,(H,21,22)
InChIKeyGOHTYVPJXAEBAS-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.11
Rot. Bonds7

About 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid

4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid (PubChem CID 119137206) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
PubChem CID119137206
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H19N3O4/c1-18(9-4-7-15(21)22)14(20)8-10-19-11-17-13-6-3-2-5-12(13)16(19)23/h2-3,5-6,11H,4,7-10H2,1H3,(H,21,22)
InChIKeyGOHTYVPJXAEBAS-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 55767150
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198315
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 86817821
methyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl-methylamino]butanoate
CID 36627249
3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide
CID 52564428
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 129490734
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid (CID 119137206) is 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid?
The InChIKey is GOHTYVPJXAEBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-18(9-4-7-15(21)22)14(20)8-10-19-11-17-13-6-3-2-5-12(13)16(19)23/h2-3,5-6,11H,4,7-10H2,1H3,(H,21,22).
What are the key properties of 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid?
4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 119137206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).