3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid

C15H19N3O3 — CID 135966774

IUPAC3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-3-18(8-7-13(19)20)9-12-16-14-10(2)5-4-6-11(14)15(21)17-12/h4-6H,3,7-9H2,1-2H3,(H,19,20)(H,16,17,21)
InChIKeySXCOPPWPZCKEPI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.53
Rot. Bonds6

About 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid

3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid (PubChem CID 135966774) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
PubChem CID135966774
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-3-18(8-7-13(19)20)9-12-16-14-10(2)5-4-6-11(14)15(21)17-12/h4-6H,3,7-9H2,1-2H3,(H,19,20)(H,16,17,21)
InChIKeySXCOPPWPZCKEPI-UHFFFAOYSA-N
XLogP1.53
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic 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

5-[[3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 136520581
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-8-methyl-3H-quinazolin-4-one
CID 136952861
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808460
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434
2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135808168
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid (CID 135966774) is 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid is CCN(CCC(=O)O)Cc1nc2c(C)cccc2c(=O)[nH]1.
What is the InChIKey of 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid?
The InChIKey is SXCOPPWPZCKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-18(8-7-13(19)20)9-12-16-14-10(2)5-4-6-11(14)15(21)17-12/h4-6H,3,7-9H2,1-2H3,(H,19,20)(H,16,17,21).
What are the key properties of 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid?
3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 135966774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).