1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid

C17H19NO2 — CID 79425020

IUPAC1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ccccc3n2)CCCCC1
InChIInChI=1S/C17H19NO2/c19-16(20)17(10-4-1-5-11-17)12-14-9-8-13-6-2-3-7-15(13)18-14/h2-3,6-9H,1,4-5,10-12H2,(H,19,20)
InChIKeyBKIXQNOIQYOJNT-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.81
Rot. Bonds3

About 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid

1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 79425020) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID79425020
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ccccc3n2)CCCCC1
InChIInChI=1S/C17H19NO2/c19-16(20)17(10-4-1-5-11-17)12-14-9-8-13-6-2-3-7-15(13)18-14/h2-3,6-9H,1,4-5,10-12H2,(H,19,20)
InChIKeyBKIXQNOIQYOJNT-UHFFFAOYSA-N
XLogP3.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(quinolin-2-ylmethyl)cyclohexane-1-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

1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79425688
3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 79425404
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
CID 57179781
1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712404
1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423211

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid (CID 79425020) is 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(Cc2ccc3ccccc3n2)CCCCC1.
What is the InChIKey of 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is BKIXQNOIQYOJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16(20)17(10-4-1-5-11-17)12-14-9-8-13-6-2-3-7-15(13)18-14/h2-3,6-9H,1,4-5,10-12H2,(H,19,20).
What are the key properties of 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid?
1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79425020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).