3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one

C15H18N2O — CID 63281680

IUPAC3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one
SMILESCC1CCCC1Nc1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-10-5-4-8-13(10)16-14-9-11-6-2-3-7-12(11)15(18)17-14/h2-3,6-7,9-10,13H,4-5,8H2,1H3,(H2,16,17,18)
InChIKeyLESUEKHEMACWTG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds2

About 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one

3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one (PubChem CID 63281680) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one
PubChem CID63281680
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one
SMILESCC1CCCC1Nc1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-10-5-4-8-13(10)16-14-9-11-6-2-3-7-12(11)15(18)17-14/h2-3,6-7,9-10,13H,4-5,8H2,1H3,(H2,16,17,18)
InChIKeyLESUEKHEMACWTG-UHFFFAOYSA-N
XLogP3.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one?
The IUPAC name of 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one (CID 63281680) is 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one is CC1CCCC1Nc1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one?
The InChIKey is LESUEKHEMACWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-5-4-8-13(10)16-14-9-11-6-2-3-7-12(11)15(18)17-14/h2-3,6-7,9-10,13H,4-5,8H2,1H3,(H2,16,17,18).
What are the key properties of 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one?
3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)amino]-2H-isoquinolin-1-one is sourced from PubChem (CID 63281680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).