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

C19H25NO — CID 79423767

IUPAC4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H25NO/c1-2-5-14-8-11-19(21)16(12-14)13-17-10-9-15-6-3-4-7-18(15)20-17/h3-4,6-7,9-10,14,16,19,21H,2,5,8,11-13H2,1H3
InChIKeyPUSDSLMZHIFHMC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.35
Rot. Bonds4

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

4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol (PubChem CID 79423767) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol
PubChem CID79423767
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H25NO/c1-2-5-14-8-11-19(21)16(12-14)13-17-10-9-15-6-3-4-7-18(15)20-17/h3-4,6-7,9-10,14,16,19,21H,2,5,8,11-13H2,1H3
InChIKeyPUSDSLMZHIFHMC-UHFFFAOYSA-N
XLogP4.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride
CID 154919479
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
[2-(quinolin-2-ylmethyl)cyclohexyl]methanamine
CID 81010257
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 55193585
2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol
CID 63461628
(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol
CID 56854498
formic acid;(3S,4R)-1-pentan-3-yl-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 154918863
N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
CID 135094368
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
CID 79424258
(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 135109096

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol (CID 79423767) is 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol is CCCC1CCC(O)C(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is PUSDSLMZHIFHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-5-14-8-11-19(21)16(12-14)13-17-10-9-15-6-3-4-7-18(15)20-17/h3-4,6-7,9-10,14,16,19,21H,2,5,8,11-13H2,1H3.
What are the key properties of 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol?
4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(quinolin-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 79423767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).