7-Chloro-4-oxo-1-phenyl-3-(quinazolin-4-ylaminomethyl)-1,4-dihydro-quinoline-2-carboxylic acid methyl ester

HCID 71208403
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Basic information

Standard SMILES
COC(=O)c1c(CNc2ncnc3ccccc23)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIKey
ZVUIXXKWRNQDGZ-UHFFFAOYSA-N
Molecular formula
C26H19ClN4O3
Average molar mass
470.9 g/mol

Names & identifiers

Preferred name
7-Chloro-4-oxo-1-phenyl-3-(quinazolin-4-ylaminomethyl)-1,4-dihydro-quinoline-2-carboxylic acid methyl ester
IUPAC
methyl 7-chloro-4-oxo-1-phenyl-3-[(quinazolin-4-ylamino)methyl]quinoline-2-carboxylate

Names & synonyms

CHEMBL3640066SCHEMBL14575560ZVUIXXKWRNQDGZ-UHFFFAOYSA-NBDBM100648US8501732, I-2087-chloro-4-oxo-1-phenyl-3-(quinazolin-4-ylaminomethyl)-1,4-dihydro-quinoline-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
71208403
ChEMBL
CHEMBL3640066

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
84.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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