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

HCID 21393366

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc2nc(N3CCN(C#N)CC3)nc(N)c2cc1OC
InChIKey: ROBVTMWEQLGULZ-UHFFFAOYSA-N
Molecular formula: C15H18N6O2
Average molar mass: 314.34 g/mol
Monoisotopic mass: 314.14912384

Names & identifiers

Preferred name: 2-(4-Cyanopiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline
IUPAC: 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonitrile

Names & synonyms

SCHEMBL11739492ROBVTMWEQLGULZ-UHFFFAOYSA-N2-(4-cyanopiperazin-1-yl)-4-amino 6,7-dimethoxyquinazoline2-(4-Cyanopiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

Database identifiers

PubChem CID: 21393366

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 446

Related reactions

12 records

New reaction record

HRID 146615As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

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

HRID 288837As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 461329As productuspto-grants-1977_12

HRID 461330As productuspto-grants-1977_12

HRID 461331As reactantuspto-grants-1977_12

HRID 461333As reactantuspto-grants-1977_12

HRID 461334As reactantuspto-grants-1977_12

Compound notes

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