6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid

C19H25NO3 — CID 142567538

IUPAC6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCn1cc(C(=O)O)c(=O)c2cc(C)ccc21
InChIInChI=1S/C19H25NO3/c1-3-4-5-6-7-8-11-20-13-16(19(22)23)18(21)15-12-14(2)9-10-17(15)20/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,23)
InChIKeyQTKHVRDVEIDZEA-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.37
Rot. Bonds8

About 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid

6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 142567538) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid
PubChem CID142567538
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCn1cc(C(=O)O)c(=O)c2cc(C)ccc21
InChIInChI=1S/C19H25NO3/c1-3-4-5-6-7-8-11-20-13-16(19(22)23)18(21)15-12-14(2)9-10-17(15)20/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,23)
InChIKeyQTKHVRDVEIDZEA-UHFFFAOYSA-N
XLogP4.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methyl-1-octyl-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid (CID 142567538) is 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid is CCCCCCCCn1cc(C(=O)O)c(=O)c2cc(C)ccc21.
What is the InChIKey of 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is QTKHVRDVEIDZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-4-5-6-7-8-11-20-13-16(19(22)23)18(21)15-12-14(2)9-10-17(15)20/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid?
6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-octyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 142567538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).