1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119801508

IUPAC1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCN1CCc2ccc(NC(=O)C3(N)CC3)cc2C1=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-17-7-4-9-2-3-10(8-11(9)12(17)18)16-13(19)14(15)5-6-14;/h2-3,8H,4-7,15H2,1H3,(H,16,19);1H
InChIKeyADFJVORALJCVBA-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.17
Rot. Bonds2

About 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119801508) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119801508
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCN1CCc2ccc(NC(=O)C3(N)CC3)cc2C1=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-17-7-4-9-2-3-10(8-11(9)12(17)18)16-13(19)14(15)5-6-14;/h2-3,8H,4-7,15H2,1H3,(H,16,19);1H
InChIKeyADFJVORALJCVBA-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride (CID 119801508) is 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride is CN1CCc2ccc(NC(=O)C3(N)CC3)cc2C1=O.Cl.
What is the InChIKey of 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ADFJVORALJCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-17-7-4-9-2-3-10(8-11(9)12(17)18)16-13(19)14(15)5-6-14;/h2-3,8H,4-7,15H2,1H3,(H,16,19);1H.
What are the key properties of 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119801508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).