1-(4-oxo-3,4,6,7,8,9-hexahydro-benzo[g]quinazolin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester

HCID 136337181
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cnn(-c2nc3cc4c(cc3c(=O)[nH]2)CCCC4)c1
InChIKey
NBMWCLCIOINBTI-UHFFFAOYSA-N
Molecular formula
C18H18N4O3
Average molar mass
338.4 g/mol

Names & identifiers

Preferred name
1-(4-oxo-3,4,6,7,8,9-hexahydro-benzo[g]quinazolin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC
ethyl 1-(4-oxo-6,7,8,9-tetrahydro-3H-benzo[g]quinazolin-2-yl)pyrazole-4-carboxylate

Names & synonyms

SCHEMBL3029699NBMWCLCIOINBTI-UHFFFAOYSA-N1-(4-oxo-3,4,6,7,8,9-hexahydro-benzo[g]quinazolin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester

Database identifiers

PubChem CID
136337181

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
85.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

5 records
New reaction record

Compound notes

Loading…