1-nonyl-4-oxoquinoline-3-carboxylic acid

C19H25NO3 — CID 155554801

IUPAC1-nonyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-10-13-20-14-16(19(22)23)18(21)15-11-8-9-12-17(15)20/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,22,23)
InChIKeyALAYQDMADCUQMZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.45
Rot. Bonds9

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

1-nonyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 155554801) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-nonyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-nonyl-4-oxoquinoline-3-carboxylic acid
PubChem CID155554801
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-nonyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-10-13-20-14-16(19(22)23)18(21)15-11-8-9-12-17(15)20/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,22,23)
InChIKeyALAYQDMADCUQMZ-UHFFFAOYSA-N
XLogP4.45
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-nonyl-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 1-nonyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-nonyl-4-oxoquinoline-3-carboxylic acid (CID 155554801) is 1-nonyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-nonyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-nonyl-4-oxoquinoline-3-carboxylic acid is CCCCCCCCCn1cc(C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 1-nonyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ALAYQDMADCUQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-4-5-6-7-10-13-20-14-16(19(22)23)18(21)15-11-8-9-12-17(15)20/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,22,23).
What are the key properties of 1-nonyl-4-oxoquinoline-3-carboxylic acid?
1-nonyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 155554801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).