4-Amino-2-[4-(cyclohexylcarbonyl)-1-piperazinyl]-6,7-dimethoxyquinazoline

HCID 21183920
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Basic information

Standard SMILES
COc1cc2nc(N3CCN(C(=O)C4CCCCC4)CC3)nc(N)c2cc1OC
InChIKey
IKQVBHDWLBYMGG-UHFFFAOYSA-N
Molecular formula
C21H29N5O3
Average molar mass
399.5 g/mol

Names & identifiers

Preferred name
4-Amino-2-[4-(cyclohexylcarbonyl)-1-piperazinyl]-6,7-dimethoxyquinazoline
IUPAC
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohexylmethanone

Names & synonyms

SCHEMBL7794483CHEMBL4160904IKQVBHDWLBYMGG-UHFFFAOYSA-NPD1630644-amino-2- [4-(cyclohexylcarbonyl)-1-piperazinyl]-6,7-dimethoxyquinazoline4-amino-2-[4-(cyclohexylcarbonyl)-1-piperazinyl]-6,7-dimethoxyquinazoline

Database identifiers

PubChem CID
21183920
ChEMBL
CHEMBL4160904

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
93.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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