N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride

C16H23Cl2N3O — CID 119586830

IUPACN-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)c1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H21N3O.2ClH/c1-11(2)9-13(10-17)19-16(20)15-14-6-4-3-5-12(14)7-8-18-15;;/h3-8,11,13H,9-10,17H2,1-2H3,(H,19,20);2*1H
InChIKeyYIYAONXOXNWCLW-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.18
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride

N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride (PubChem CID 119586830) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
PubChem CID119586830
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)c1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H21N3O.2ClH/c1-11(2)9-13(10-17)19-16(20)15-14-6-4-3-5-12(14)7-8-18-15;;/h3-8,11,13H,9-10,17H2,1-2H3,(H,19,20);2*1H
InChIKeyYIYAONXOXNWCLW-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide
CID 62667809
N-(4-hydroxybutan-2-yl)isoquinoline-1-carboxamide
CID 81042151
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
N-(1-chloro-4-methylpentan-3-yl)isoquinoline-1-carboxamide
CID 106354862
N-(2-chloropropyl)isoquinoline-1-carboxamide
CID 114296363
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120831709
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724998
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-(2-aminopentyl)isoquinoline-1-carboxamide
CID 115737738
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119587854

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride (CID 119586830) is N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride is CC(C)CC(CN)NC(=O)c1nccc2ccccc12.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride?
The InChIKey is YIYAONXOXNWCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.2ClH/c1-11(2)9-13(10-17)19-16(20)15-14-6-4-3-5-12(14)7-8-18-15;;/h3-8,11,13H,9-10,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride has a molecular weight of 344.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119586830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).