isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol

C18H23NO2 — CID 103143523

IUPACisoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2cccc3ccncc23)CCC(C)CC1
InChIInChI=1S/C18H23NO2/c1-13-6-9-18(21-2,10-7-13)17(20)15-5-3-4-14-8-11-19-12-16(14)15/h3-5,8,11-13,17,20H,6-7,9-10H2,1-2H3
InChIKeyYIFCOSAWQWEDOD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds3

About isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol

isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol (PubChem CID 103143523) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Nameisoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
PubChem CID103143523
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameisoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2cccc3ccncc23)CCC(C)CC1
InChIInChI=1S/C18H23NO2/c1-13-6-9-18(21-2,10-7-13)17(20)15-5-3-4-14-8-11-19-12-16(14)15/h3-5,8,11-13,17,20H,6-7,9-10H2,1-2H3
InChIKeyYIFCOSAWQWEDOD-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

isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 103143775
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
CID 116755033
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol
CID 116754442
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine
CID 103137397

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The IUPAC name of isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol (CID 103143523) is isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol.
What is the SMILES notation for isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The canonical SMILES for isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol is COC1(C(O)c2cccc3ccncc23)CCC(C)CC1.
What is the InChIKey of isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The InChIKey is YIFCOSAWQWEDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-9-18(21-2,10-7-13)17(20)15-5-3-4-14-8-11-19-12-16(14)15/h3-5,8,11-13,17,20H,6-7,9-10H2,1-2H3.
What are the key properties of isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol?
isoquinolin-8-yl-(1-methoxy-4-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-8-yl-(1-methoxy-4-methylcyclohexyl)methanol is sourced from PubChem (CID 103143523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).