4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol

C18H23NO — CID 79424258

IUPAC4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C18H23NO/c1-2-13-7-8-18(20)15(11-13)12-14-9-10-19-17-6-4-3-5-16(14)17/h3-6,9-10,13,15,18,20H,2,7-8,11-12H2,1H3
InChIKeyPJSKHLJOFHHLFX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds3

About 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol

4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol (PubChem CID 79424258) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
PubChem CID79424258
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C18H23NO/c1-2-13-7-8-18(20)15(11-13)12-14-9-10-19-17-6-4-3-5-16(14)17/h3-6,9-10,13,15,18,20H,2,7-8,11-12H2,1H3
InChIKeyPJSKHLJOFHHLFX-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-one
CID 79417857
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol
CID 79422812
4-[[(2R,4S,5R)-4,5-diethylpiperidin-1-id-2-yl]methyl]quinoline
CID 142216900
2-cyclohexyl-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134712272
cyclopentyl-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134708862
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81026825
4-ethyl-2-[(4-ethylphenyl)methyl]cyclohexan-1-ol
CID 63461440
1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
CID 63461697
4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 28642233
3-cyclohexyl-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 134704834

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol (CID 79424258) is 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol is CCC1CCC(O)C(Cc2ccnc3ccccc23)C1.
What is the InChIKey of 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is PJSKHLJOFHHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-13-7-8-18(20)15(11-13)12-14-9-10-19-17-6-4-3-5-16(14)17/h3-6,9-10,13,15,18,20H,2,7-8,11-12H2,1H3.
What are the key properties of 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol?
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 79424258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).