1-isoquinolin-5-yl-4-methylcycloheptan-1-ol

C17H21NO — CID 65084645

IUPAC1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2cccc3cnccc23)CC1
InChIInChI=1S/C17H21NO/c1-13-4-3-9-17(19,10-7-13)16-6-2-5-14-12-18-11-8-15(14)16/h2,5-6,8,11-13,19H,3-4,7,9-10H2,1H3
InChIKeyQKVLNPBQCRNMNY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.02
Rot. Bonds1

About 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol

1-isoquinolin-5-yl-4-methylcycloheptan-1-ol (PubChem CID 65084645) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
PubChem CID65084645
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2cccc3cnccc23)CC1
InChIInChI=1S/C17H21NO/c1-13-4-3-9-17(19,10-7-13)16-6-2-5-14-12-18-11-8-15(14)16/h2,5-6,8,11-13,19H,3-4,7,9-10H2,1H3
InChIKeyQKVLNPBQCRNMNY-UHFFFAOYSA-N
XLogP4.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol?
The IUPAC name of 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol (CID 65084645) is 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol is CC1CCCC(O)(c2cccc3cnccc23)CC1.
What is the InChIKey of 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol?
The InChIKey is QKVLNPBQCRNMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-4-3-9-17(19,10-7-13)16-6-2-5-14-12-18-11-8-15(14)16/h2,5-6,8,11-13,19H,3-4,7,9-10H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol?
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-4-methylcycloheptan-1-ol is sourced from PubChem (CID 65084645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).