2-(4-Benzoylpiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

HCID 10691966

Notes Reactions

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Basic information

Standard SMILES: COc1cc2nc(N3CCN(C(=O)c4ccccc4)CC3)nc(N)c2cc1OC
InChIKey: ZZSVTGUBKHVPCL-UHFFFAOYSA-N
Molecular formula: C21H23N5O3
Average molar mass: 393.4 g/mol
Monoisotopic mass: 393.18008961

Names & identifiers

Preferred name: 2-(4-Benzoylpiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline
IUPAC: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone

Names & synonyms

CHEMBL123128SCHEMBL11748304ZZSVTGUBKHVPCL-UHFFFAOYSA-NBDBM500735802-(4-Benzoylpiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline(4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(phenyl)methanone[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-phenyl-methanone

Database identifiers

PubChem CID: 10691966
ChEMBL: CHEMBL123128
Nikkaji: J1.079.953H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 93.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 550

Related reactions

2 records

New reaction record

HRID 203059As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 461337As productuspto-grants-1977_12

Compound notes

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