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

C15H16N2O4 — CID 119362374

IUPAC3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)N(C)CCC(=O)O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H16N2O4/c1-9-10-5-3-4-6-11(10)16-14(20)13(9)15(21)17(2)8-7-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPLJHWFQIKZFJCI-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.38
Rot. Bonds4

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

3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid (PubChem CID 119362374) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
PubChem CID119362374
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)N(C)CCC(=O)O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H16N2O4/c1-9-10-5-3-4-6-11(10)16-14(20)13(9)15(21)17(2)8-7-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPLJHWFQIKZFJCI-UHFFFAOYSA-N
XLogP1.38
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 71977706
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 111779687
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135
N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
CID 115691704
4-[(2-methyl-1H-indol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058874
4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119539340

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid (CID 119362374) is 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid is Cc1c(C(=O)N(C)CCC(=O)O)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid?
The InChIKey is PLJHWFQIKZFJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-10-5-3-4-6-11(10)16-14(20)13(9)15(21)17(2)8-7-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid?
3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119362374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).