(4-methylcyclohexyl)-quinolin-4-ylmethanol

C17H21NO — CID 64749766

IUPAC(4-methylcyclohexyl)-quinolin-4-ylmethanol
SMILESCC1CCC(C(O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H21NO/c1-12-6-8-13(9-7-12)17(19)15-10-11-18-16-5-3-2-4-14(15)16/h2-5,10-13,17,19H,6-9H2,1H3
InChIKeyNNZWKTDQSOELOY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.09
Rot. Bonds2

About (4-methylcyclohexyl)-quinolin-4-ylmethanol

(4-methylcyclohexyl)-quinolin-4-ylmethanol (PubChem CID 64749766) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (4-methylcyclohexyl)-quinolin-4-ylmethanol.

Molecular Properties

Compound Name(4-methylcyclohexyl)-quinolin-4-ylmethanol
PubChem CID64749766
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(4-methylcyclohexyl)-quinolin-4-ylmethanol
SMILESCC1CCC(C(O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H21NO/c1-12-6-8-13(9-7-12)17(19)15-10-11-18-16-5-3-2-4-14(15)16/h2-5,10-13,17,19H,6-9H2,1H3
InChIKeyNNZWKTDQSOELOY-UHFFFAOYSA-N
XLogP4.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchonidine
CID 101744
Cinchonine
CID 90454
Hydrocinchonine, (+)-
CID 11630759
Alpha-quinidine
CID 2757
(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 101711
Dihydrocinchonidine
CID 6914728
6-Hydroxymethylquinoline
CID 1514385
(9R)-Cinchonan-9-ol
CID 5702153
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
4-(Hydroxymethyl)quinoline
CID 80479
(3R)-3-(4-Quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10404387
Isoquinolin-1-yl(phenyl)methanol
CID 2789853

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-quinolin-4-ylmethanol?
The IUPAC name of (4-methylcyclohexyl)-quinolin-4-ylmethanol (CID 64749766) is (4-methylcyclohexyl)-quinolin-4-ylmethanol.
What is the SMILES notation for (4-methylcyclohexyl)-quinolin-4-ylmethanol?
The canonical SMILES for (4-methylcyclohexyl)-quinolin-4-ylmethanol is CC1CCC(C(O)c2ccnc3ccccc23)CC1.
What is the InChIKey of (4-methylcyclohexyl)-quinolin-4-ylmethanol?
The InChIKey is NNZWKTDQSOELOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-8-13(9-7-12)17(19)15-10-11-18-16-5-3-2-4-14(15)16/h2-5,10-13,17,19H,6-9H2,1H3.
What are the key properties of (4-methylcyclohexyl)-quinolin-4-ylmethanol?
(4-methylcyclohexyl)-quinolin-4-ylmethanol has a molecular weight of 255.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-quinolin-4-ylmethanol is sourced from PubChem (CID 64749766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).