2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid

C17H19NO2 — CID 81007961

IUPAC2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Cc1ccnc2ccccc12
InChIInChI=1S/C17H19NO2/c19-17(20)15-7-2-1-5-12(15)11-13-9-10-18-16-8-4-3-6-14(13)16/h3-4,6,8-10,12,15H,1-2,5,7,11H2,(H,19,20)
InChIKeyLLLWNJVRUQDODU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.67
Rot. Bonds3

About 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid

2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 81007961) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID81007961
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Cc1ccnc2ccccc12
InChIInChI=1S/C17H19NO2/c19-17(20)15-7-2-1-5-12(15)11-13-9-10-18-16-8-4-3-6-14(13)16/h3-4,6,8-10,12,15H,1-2,5,7,11H2,(H,19,20)
InChIKeyLLLWNJVRUQDODU-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
cyclopentyl-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134708862
2-cyclohexyl-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134712272
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
3-cyclohexyl-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 134704834
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81026825
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid (CID 81007961) is 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1Cc1ccnc2ccccc12.
What is the InChIKey of 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is LLLWNJVRUQDODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(20)15-7-2-1-5-12(15)11-13-9-10-18-16-8-4-3-6-14(13)16/h3-4,6,8-10,12,15H,1-2,5,7,11H2,(H,19,20).
What are the key properties of 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid?
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81007961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).