N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide

C17H20N2O — CID 67974896

IUPACN-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C17H20N2O/c1-11(2)7-12-3-4-14-9-16(18-10-15(14)8-12)19-17(20)13-5-6-13/h3-4,8-11,13H,5-7H2,1-2H3,(H,18,19,20)
InChIKeyZHRSVMMWEDNZEX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.78
Rot. Bonds4

About N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974896) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974896
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C17H20N2O/c1-11(2)7-12-3-4-14-9-16(18-10-15(14)8-12)19-17(20)13-5-6-13/h3-4,8-11,13H,5-7H2,1-2H3,(H,18,19,20)
InChIKeyZHRSVMMWEDNZEX-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide 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 N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974896) is N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide is CC(C)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZHRSVMMWEDNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11(2)7-12-3-4-14-9-16(18-10-15(14)8-12)19-17(20)13-5-6-13/h3-4,8-11,13H,5-7H2,1-2H3,(H,18,19,20).
What are the key properties of N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-methylpropyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).