1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid

C15H16ClNO3 — CID 82251202

IUPAC1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCCCCn1c(C(=O)O)cc(=O)c2c(Cl)ccc(C)c21
InChIInChI=1S/C15H16ClNO3/c1-3-4-7-17-11(15(19)20)8-12(18)13-10(16)6-5-9(2)14(13)17/h5-6,8H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyIPZPKMXBXPRNSV-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.46
Rot. Bonds4

About 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid

1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82251202) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82251202
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCCCCn1c(C(=O)O)cc(=O)c2c(Cl)ccc(C)c21
InChIInChI=1S/C15H16ClNO3/c1-3-4-7-17-11(15(19)20)8-12(18)13-10(16)6-5-9(2)14(13)17/h5-6,8H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyIPZPKMXBXPRNSV-UHFFFAOYSA-N
XLogP3.46
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-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

5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid
CID 82248933
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
6-butyl-1,7-dimethyl-4,10-dioxo-1,7-phenanthroline-2,8-dicarboxylic acid
CID 70551508
1-butyl-2,3,6-trimethylindole-7-carboxylic acid
CID 83964750
7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250962
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
3-dodecyl-2-methylimidazole-4-carboxylic acid
CID 65173160
1-butyl-3-ethyl-2,6-dimethylindole-7-carboxylic acid
CID 83964747
1-ethyl-6,7-dimethylindole-2-carboxylic acid
CID 105470979

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid (CID 82251202) is 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid is CCCCn1c(C(=O)O)cc(=O)c2c(Cl)ccc(C)c21.
What is the InChIKey of 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is IPZPKMXBXPRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-3-4-7-17-11(15(19)20)8-12(18)13-10(16)6-5-9(2)14(13)17/h5-6,8H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid?
1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82251202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).