8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid

C18H14FNO3 — CID 94947467

IUPAC8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
SMILESCc1ccc(Cn2c(=O)ccc3cc(C(=O)O)cc(F)c32)cc1
InChIInChI=1S/C18H14FNO3/c1-11-2-4-12(5-3-11)10-20-16(21)7-6-13-8-14(18(22)23)9-15(19)17(13)20/h2-9H,10H2,1H3,(H,22,23)
InChIKeyFDCCGWKSQHNXRJ-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.20
Rot. Bonds3

About 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid

8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid (PubChem CID 94947467) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
PubChem CID94947467
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
SMILESCc1ccc(Cn2c(=O)ccc3cc(C(=O)O)cc(F)c32)cc1
InChIInChI=1S/C18H14FNO3/c1-11-2-4-12(5-3-11)10-20-16(21)7-6-13-8-14(18(22)23)9-15(19)17(13)20/h2-9H,10H2,1H3,(H,22,23)
InChIKeyFDCCGWKSQHNXRJ-UHFFFAOYSA-N
XLogP3.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
1-[(3-cyanophenyl)methyl]-8-fluoro-2-oxoquinoline-6-carboxylic acid
CID 94947489
8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
CID 94947485
1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213063
8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947439
1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213077
8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
CID 82212983
8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 82213153
4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207382
8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
CID 82213036
8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid
CID 82212970
1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
CID 82213114

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid (CID 94947467) is 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid is Cc1ccc(Cn2c(=O)ccc3cc(C(=O)O)cc(F)c32)cc1.
What is the InChIKey of 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The InChIKey is FDCCGWKSQHNXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-11-2-4-12(5-3-11)10-20-16(21)7-6-13-8-14(18(22)23)9-15(19)17(13)20/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 94947467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).