3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid

C17H19NO3 — CID 79591739

IUPAC3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid
SMILESCC1CCCC(Oc2cnc3ccccc3c2C(=O)O)C1
InChIInChI=1S/C17H19NO3/c1-11-5-4-6-12(9-11)21-15-10-18-14-8-3-2-7-13(14)16(15)17(19)20/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,19,20)
InChIKeyQZRVSLYIFFOTME-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.89
Rot. Bonds3

About 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid

3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid (PubChem CID 79591739) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid
PubChem CID79591739
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid
SMILESCC1CCCC(Oc2cnc3ccccc3c2C(=O)O)C1
InChIInChI=1S/C17H19NO3/c1-11-5-4-6-12(9-11)21-15-10-18-14-8-3-2-7-13(14)16(15)17(19)20/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,19,20)
InChIKeyQZRVSLYIFFOTME-UHFFFAOYSA-N
XLogP3.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid?
The IUPAC name of 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid (CID 79591739) is 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid?
The canonical SMILES for 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid is CC1CCCC(Oc2cnc3ccccc3c2C(=O)O)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid?
The InChIKey is QZRVSLYIFFOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-5-4-6-12(9-11)21-15-10-18-14-8-3-2-7-13(14)16(15)17(19)20/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,19,20).
What are the key properties of 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid?
3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid is sourced from PubChem (CID 79591739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).