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

C15H16FNO4 — CID 65298263

IUPAC4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)O
InChIInChI=1S/C15H16FNO4/c1-15(2,14(20)21)7-12(18)9-5-8-3-4-13(19)17-11(8)6-10(9)16/h5-6H,3-4,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyRSJPMVSSSMMHJW-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.39
Rot. Bonds4

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

4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65298263) 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)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65298263
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)O
InChIInChI=1S/C15H16FNO4/c1-15(2,14(20)21)7-12(18)9-5-8-3-4-13(19)17-11(8)6-10(9)16/h5-6H,3-4,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyRSJPMVSSSMMHJW-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid (CID 65298263) is 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)O.
What is the InChIKey of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is RSJPMVSSSMMHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-15(2,14(20)21)7-12(18)9-5-8-3-4-13(19)17-11(8)6-10(9)16/h5-6H,3-4,7H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid?
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 293.29 g/mol, XLogP of 2.39, 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)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65298263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).