6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

C19H14Cl2FNO4 — CID 5276969

IUPAC6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2c(F)cc(Cc3cccc(Cl)c3Cl)cc2c1=O
InChIInChI=1S/C19H14Cl2FNO4/c20-14-3-1-2-11(16(14)21)6-10-7-12-17(15(22)8-10)23(4-5-24)9-13(18(12)25)19(26)27/h1-3,7-9,24H,4-6H2,(H,26,27)
InChIKeyKCYXSYRXHHMSBC-UHFFFAOYSA-N
MW410.23 g/mol
LogP3.73
Rot. Bonds5

About 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 5276969) has the molecular formula C19H14Cl2FNO4 and a molecular weight of 410.23 g/mol. Its IUPAC name is 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID5276969
Molecular FormulaC19H14Cl2FNO4
Molecular Weight410.23 g/mol
Exact Mass409.03
IUPAC Name6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2c(F)cc(Cc3cccc(Cl)c3Cl)cc2c1=O
InChIInChI=1S/C19H14Cl2FNO4/c20-14-3-1-2-11(16(14)21)6-10-7-12-17(15(22)8-10)23(4-5-24)9-13(18(12)25)19(26)27/h1-3,7-9,24H,4-6H2,(H,26,27)
InChIKeyKCYXSYRXHHMSBC-UHFFFAOYSA-N
XLogP3.73
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-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

ethyl 6-[[2-chloro-3-(iodomethyl)phenyl]methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
CID 89378983
6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 58334723
6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
CID 58801769
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-4-hydroxy-2-methylbutyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 146453500
(2S)-6-[(3-chloro-2-fluorophenyl)methyl]-2-(hydroxymethyl)-9-oxo-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxylic acid
CID 143139640
6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxy-2-phenylethyl)-4-oxoquinoline-3-carboxylic acid
CID 5277010
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 5277149
6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-7-(3-hydroxypropyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70992591
6-[(2,3-dichlorophenyl)methyl]-1-(2-imidazol-1-ylethyl)-4-oxoquinoline-3-carboxylic acid
CID 5276971
8-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carbaldehyde
CID 89189564
1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244448
6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxypentan-2-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 23083929

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (CID 5276969) is 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(CCO)c2c(F)cc(Cc3cccc(Cl)c3Cl)cc2c1=O.
What is the InChIKey of 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is KCYXSYRXHHMSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO4/c20-14-3-1-2-11(16(14)21)6-10-7-12-17(15(22)8-10)23(4-5-24)9-13(18(12)25)19(26)27/h1-3,7-9,24H,4-6H2,(H,26,27).
What are the key properties of 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 410.23 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 5276969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).