4-amino-7-chloro-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide

HCID 23629993
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Basic information

Standard SMILES
CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)c(Cl)ccc2c1N
InChIKey
NURVRRVXBZFKHJ-UHFFFAOYSA-N
Molecular formula
C20H21ClN4O
Average molar mass
368.9 g/mol
Monoisotopic mass
368.140389

Names & identifiers

Preferred name
4-amino-7-chloro-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide
IUPAC
4-amino-7-chloro-8-(2,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide

Names & synonyms

SCHEMBL1962694NURVRRVXBZFKHJ-UHFFFAOYSA-N4-amino-7-chloro-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide

Database identifiers

PubChem CID
23629993

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
80.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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