isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol

C18H23NO2 — CID 116755033

IUPACisoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2cncc3ccccc23)CCCC(C)C1
InChIInChI=1S/C18H23NO2/c1-13-6-5-9-18(10-13,21-2)17(20)16-12-19-11-14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17,20H,5-6,9-10H2,1-2H3
InChIKeyADOBSSVIVRZHMM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds3

About isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol

isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol (PubChem CID 116755033) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
PubChem CID116755033
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameisoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2cncc3ccccc23)CCCC(C)C1
InChIInChI=1S/C18H23NO2/c1-13-6-5-9-18(10-13,21-2)17(20)16-12-19-11-14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17,20H,5-6,9-10H2,1-2H3
InChIKeyADOBSSVIVRZHMM-UHFFFAOYSA-N
XLogP3.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268700
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991
N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611200
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
isoquinolin-4-yl-(3-methylcyclohexyl)methanamine
CID 63938819
isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 103143523
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645881
(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
CID 116754992
(1R)-1-isoquinolin-4-ylethanol
CID 102064621

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol?
The IUPAC name of isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol (CID 116755033) is isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol.
What is the SMILES notation for isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol?
The canonical SMILES for isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol is COC1(C(O)c2cncc3ccccc23)CCCC(C)C1.
What is the InChIKey of isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol?
The InChIKey is ADOBSSVIVRZHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-5-9-18(10-13,21-2)17(20)16-12-19-11-14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17,20H,5-6,9-10H2,1-2H3.
What are the key properties of isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol?
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol has a molecular weight of 285.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol is sourced from PubChem (CID 116755033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).