1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol

C13H13NO2 — CID 117306768

IUPAC1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol
SMILESCOc1nccc2cc(C3(O)CC3)ccc12
InChIInChI=1S/C13H13NO2/c1-16-12-11-3-2-10(13(15)5-6-13)8-9(11)4-7-14-12/h2-4,7-8,15H,5-6H2,1H3
InChIKeyXBEOHJAWCIYPJD-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.22
Rot. Bonds2

About 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol

1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol (PubChem CID 117306768) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol
PubChem CID117306768
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol
SMILESCOc1nccc2cc(C3(O)CC3)ccc12
InChIInChI=1S/C13H13NO2/c1-16-12-11-3-2-10(13(15)5-6-13)8-9(11)4-7-14-12/h2-4,7-8,15H,5-6H2,1H3
InChIKeyXBEOHJAWCIYPJD-UHFFFAOYSA-N
XLogP2.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine
CID 117358111
2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid
CID 117396222
[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
CID 117358088
1-(1-methoxyisoquinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117459630
1-(2-methoxyquinoxalin-6-yl)cyclopropan-1-ol
CID 117307968
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
1-methoxy-6-piperidin-3-ylisoquinoline
CID 117358121
N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 178122855
4-[(1-methoxyisoquinolin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 122035055
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine
CID 117303212
7-bromo-1-methoxyisoquinoline
CID 67491611

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol?
The IUPAC name of 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol (CID 117306768) is 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol is COc1nccc2cc(C3(O)CC3)ccc12.
What is the InChIKey of 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol?
The InChIKey is XBEOHJAWCIYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-12-11-3-2-10(13(15)5-6-13)8-9(11)4-7-14-12/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol?
1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol has a molecular weight of 215.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol is sourced from PubChem (CID 117306768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).