3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid

C15H15FN2O4 — CID 119228708

IUPAC3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C15H15FN2O4/c1-8(15(21)22)7-18(2)14(20)11-6-13(19)17-12-5-9(16)3-4-10(11)12/h3-6,8H,7H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyKCBXIMSPZLEXJU-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.46
Rot. Bonds4

About 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 119228708) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID119228708
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C15H15FN2O4/c1-8(15(21)22)7-18(2)14(20)11-6-13(19)17-12-5-9(16)3-4-10(11)12/h3-6,8H,7H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyKCBXIMSPZLEXJU-UHFFFAOYSA-N
XLogP1.46
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119188586
7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 154861473
3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228024
7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide
CID 111484288
3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228796
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119641077
3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 56794202
N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 71980215

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid (CID 119228708) is 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(=O)O.
What is the InChIKey of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is KCBXIMSPZLEXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-8(15(21)22)7-18(2)14(20)11-6-13(19)17-12-5-9(16)3-4-10(11)12/h3-6,8H,7H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 306.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).