2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid

C21H22N2O4 — CID 120528737

IUPAC2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid
SMILESCN1C(=O)CCc2cc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)ccc21
InChIInChI=1S/C21H22N2O4/c1-21(2,20(26)27)15-6-8-16(9-7-15)22-19(25)14-4-10-17-13(12-14)5-11-18(24)23(17)3/h4,6-10,12H,5,11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyVBSYAVIFSLNPNW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.21
Rot. Bonds4

About 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid (PubChem CID 120528737) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid
PubChem CID120528737
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid
SMILESCN1C(=O)CCc2cc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)ccc21
InChIInChI=1S/C21H22N2O4/c1-21(2,20(26)27)15-6-8-16(9-7-15)22-19(25)14-4-10-17-13(12-14)5-11-18(24)23(17)3/h4,6-10,12H,5,11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyVBSYAVIFSLNPNW-UHFFFAOYSA-N
XLogP3.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]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

4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 119254151
4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
CID 19760245
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571247
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
3-[[3-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 120526366
2-methyl-2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 119254235
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530960
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid (CID 120528737) is 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid is CN1C(=O)CCc2cc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)ccc21.
What is the InChIKey of 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is VBSYAVIFSLNPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(2,20(26)27)15-6-8-16(9-7-15)22-19(25)14-4-10-17-13(12-14)5-11-18(24)23(17)3/h4,6-10,12H,5,11H2,1-3H3,(H,22,25)(H,26,27).
What are the key properties of 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 366.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 120528737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).