1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol

C16H19NO2 — CID 106873556

IUPAC1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1cncc2ccccc12
InChIInChI=1S/C16H19NO2/c1-19-15-8-4-5-9-16(15,18)14-11-17-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3
InChIKeyDVQJDLAEIUWHQT-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.01
Rot. Bonds2

About 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol

1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol (PubChem CID 106873556) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol
PubChem CID106873556
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1cncc2ccccc12
InChIInChI=1S/C16H19NO2/c1-19-15-8-4-5-9-16(15,18)14-11-17-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3
InChIKeyDVQJDLAEIUWHQT-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol
CID 113483858
1-(4-amino-3-pyridinyl)-2-methoxycyclohexan-1-ol
CID 106873633
2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol
CID 65049610
2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873665
cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
CID 67826676
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
1-isoquinolin-4-ylcycloheptan-1-amine
CID 63940154
1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol
CID 106873494
3-isoquinolin-4-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956096
trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
CID 102094905
2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873545

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol?
The IUPAC name of 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol (CID 106873556) is 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol?
The canonical SMILES for 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol is COC1CCCCC1(O)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol?
The InChIKey is DVQJDLAEIUWHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-15-8-4-5-9-16(15,18)14-11-17-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol?
1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol has a molecular weight of 257.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 106873556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).