6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid

C16H19NO3 — CID 118577946

IUPAC6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCCCCCc1ccc2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C16H19NO3/c1-2-3-4-5-6-11-7-8-14-12(9-11)15(18)13(10-17-14)16(19)20/h7-10H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyGZBOMKSCZWSPCH-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.35
Rot. Bonds6

About 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid

6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 118577946) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID118577946
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCCCCCc1ccc2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C16H19NO3/c1-2-3-4-5-6-11-7-8-14-12(9-11)15(18)13(10-17-14)16(19)20/h7-10H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyGZBOMKSCZWSPCH-UHFFFAOYSA-N
XLogP3.35
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-3-heptanoyl-1H-quinolin-4-one
CID 44561074
3-bromo-6-butyl-1H-quinolin-4-one
CID 114759349
6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
4-hexadecyl-2-methylbenzoic acid
CID 57019926
2-fluoro-4-nonylbenzoic acid
CID 57292315
pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
sodium 2-carboxy-5-tetradecylphenolate
CID 101311329
sodium 2-carboxy-5-octylphenolate
CID 101311118
sodium 2-carboxy-5-hexylphenolate
CID 101311048
calcium bis(2-carboxy-4-hexadecylphenolate)
CID 54702490
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 118577946) is 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid is CCCCCCc1ccc2[nH]cc(C(=O)O)c(=O)c2c1.
What is the InChIKey of 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is GZBOMKSCZWSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-3-4-5-6-11-7-8-14-12(9-11)15(18)13(10-17-14)16(19)20/h7-10H,2-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid?
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 118577946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).