4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid

C15H16FNO4 — CID 103500030

IUPAC4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H16FNO4/c1-7(8(2)15(20)21)14(19)10-5-9-3-4-13(18)17-12(9)6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyOEFCWOUQEBFONK-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.25
Rot. Bonds4

About 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid

4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103500030) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103500030
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H16FNO4/c1-7(8(2)15(20)21)14(19)10-5-9-3-4-13(18)17-12(9)6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyOEFCWOUQEBFONK-UHFFFAOYSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120524210
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
CID 119358178
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522203
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516375
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110003451

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid (CID 103500030) is 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is OEFCWOUQEBFONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-7(8(2)15(20)21)14(19)10-5-9-3-4-13(18)17-12(9)6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid?
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 293.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103500030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).