1-cyclohexyl-4-oxoquinoline-3-carboxylic acid

C16H17NO3 — CID 2729105

IUPAC1-cyclohexyl-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C16H17NO3/c18-15-12-8-4-5-9-14(12)17(10-13(15)16(19)20)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,19,20)
InChIKeyDTLUKEHVTWNAGE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.20
Rot. Bonds2

About 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid

1-cyclohexyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 2729105) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-oxoquinoline-3-carboxylic acid
PubChem CID2729105
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-cyclohexyl-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C16H17NO3/c18-15-12-8-4-5-9-14(12)17(10-13(15)16(19)20)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,19,20)
InChIKeyDTLUKEHVTWNAGE-UHFFFAOYSA-N
XLogP3.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-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

Flumequine
CID 3374
Enrofloxacin
CID 71188
Fleroxacin
CID 3357
Pefloxacin
CID 51081
Difloxacin
CID 56206
Difloxacin Hydrochloride
CID 56205
4-Hydroxy-7-trifluoromethylquinoline-3-carboxylic acid
CID 68459
AS1842856
CID 72193864
4-Quinolone-3-carboxylic acid
CID 220875
Desfluorociprofloxacin
CID 483178
Methyl 4-hydroxyquinoline-3-carboxylate
CID 279958
7-Chloro-6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
CID 57338

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid (CID 2729105) is 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CCCCC2)c2ccccc2c1=O.
What is the InChIKey of 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is DTLUKEHVTWNAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-12-8-4-5-9-14(12)17(10-13(15)16(19)20)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,19,20).
What are the key properties of 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid?
1-cyclohexyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 2729105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).