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

C20H20N2O4 — CID 119254165

IUPAC2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H20N2O4/c1-20(2,19(25)26)14-5-7-15(8-6-14)21-18(24)13-3-9-16-12(11-13)4-10-17(23)22-16/h3,5-9,11H,4,10H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyDCKZMYCWHPQCOH-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.19
Rot. Bonds4

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

2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid (PubChem CID 119254165) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
PubChem CID119254165
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H20N2O4/c1-20(2,19(25)26)14-5-7-15(8-6-14)21-18(24)13-3-9-16-12(11-13)4-10-17(23)22-16/h3,5-9,11H,4,10H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyDCKZMYCWHPQCOH-UHFFFAOYSA-N
XLogP3.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid with MolForge

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 120528737
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
N-(2-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858427
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24532097
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 119254151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid (CID 119254165) is 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is DCKZMYCWHPQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-20(2,19(25)26)14-5-7-15(8-6-14)21-18(24)13-3-9-16-12(11-13)4-10-17(23)22-16/h3,5-9,11H,4,10H2,1-2H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 119254165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).