N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride

C14H19Cl2N3O — CID 120831709

IUPACN-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C14H17N3O.2ClH/c1-10(15-2)9-17-14(18)13-12-6-4-3-5-11(12)7-8-16-13;;/h3-8,10,15H,9H2,1-2H3,(H,17,18);2*1H
InChIKeyDFKRQSZZEBRLKQ-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride

N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride (PubChem CID 120831709) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
PubChem CID120831709
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C14H17N3O.2ClH/c1-10(15-2)9-17-14(18)13-12-6-4-3-5-11(12)7-8-16-13;;/h3-8,10,15H,9H2,1-2H3,(H,17,18);2*1H
InChIKeyDFKRQSZZEBRLKQ-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloropropyl)isoquinoline-1-carboxamide
CID 114296363
N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide
CID 62667809
N-(4-bromo-2-methylbutyl)isoquinoline-1-carboxamide
CID 113276128
2-hydroxy-3-(isoquinoline-1-carbonylamino)propanoic acid
CID 66166243
N-(4-hydroxybutan-2-yl)isoquinoline-1-carboxamide
CID 81042151
N-(2-aminopentyl)isoquinoline-1-carboxamide
CID 115737738
N-(2-bromo-3-ethylpentyl)isoquinoline-1-carboxamide
CID 106288137
N-[(2R)-2-(dimethylamino)-2-phenylethyl]isoquinoline-1-carboxamide
CID 52821972
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-cyanoisoquinoline-1-carboxamide
CID 79195408
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
CID 119586830

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride (CID 120831709) is N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1nccc2ccccc12.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride?
The InChIKey is DFKRQSZZEBRLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.2ClH/c1-10(15-2)9-17-14(18)13-12-6-4-3-5-11(12)7-8-16-13;;/h3-8,10,15H,9H2,1-2H3,(H,17,18);2*1H.
What are the key properties of N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride?
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride has a molecular weight of 316.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride is sourced from PubChem (CID 120831709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).