3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N,N-dipropyl-

HCID 11057656
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Basic information

CAS
89242-19-3
Standard SMILES
CCCN(CCC)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1
InChIKey
ROQAEKBEGAOJGU-UHFFFAOYSA-N
Molecular formula
C22H23ClN2O
Average molar mass
366.9 g/mol
Monoisotopic mass
366.14989104

Names & identifiers

Preferred name
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N,N-dipropyl-
IUPAC
1-(2-chlorophenyl)-N,N-dipropylisoquinoline-3-carboxamide

Names & synonyms

89242-19-31-(2-Chlorophenyl)-N,N-dipropylisoquinoline-3-carboxamide3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N,N-dipropyl-SCHEMBL10982454DTXSID00453638ROQAEKBEGAOJGU-UHFFFAOYSA-NN,N-dipropyl 1-(2-chloro phenyl) isoquinoline 3-carboxamide

Database identifiers

CAS
89242-19-3
PubChem CID
11057656
DTXSID
DTXSID00453638
Nikkaji
J1.852.334E

Properties

Computed structural propertiesFilling in

XLogP
6
Topological polar surface area
33.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
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Compound notes

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