1-(1-oxo-1,2,7,8,9,10-hexahydro-benzo[f]quinazolin-3-yl)-1H-pyrazole-4-carboxylic acid ethyl ester

HCID 136337182
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Basic information

Standard SMILES
CCOC(=O)c1cnn(-c2nc3ccc4c(c3c(=O)[nH]2)CCCC4)c1
InChIKey
KDQGDBJIAIWXTF-UHFFFAOYSA-N
Molecular formula
C18H18N4O3
Average molar mass
338.4 g/mol

Names & identifiers

Preferred name
1-(1-oxo-1,2,7,8,9,10-hexahydro-benzo[f]quinazolin-3-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC
ethyl 1-(1-oxo-7,8,9,10-tetrahydro-2H-benzo[f]quinazolin-3-yl)pyrazole-4-carboxylate

Names & synonyms

SCHEMBL3025620KDQGDBJIAIWXTF-UHFFFAOYSA-N1-(1-oxo-1,2,7,8,9,10-hexahydro-benzo[f]quinazolin-3-yl)-1H-pyrazole-4-carboxylic acid ethyl ester

Database identifiers

PubChem CID
136337182

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

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