{8-(4-Chloro-phenyl)-2-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-5,6,7,8-tetrahydro-quinazolin-8-yl}-acetonitrile

HCID 57780702

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Basic information

Standard SMILES: COc1cc(Nc2ncc3c(n2)C(CC#N)(c2ccc(Cl)cc2)CCC3)ccc1-n1cnc(C)c1
InChIKey: KZHOEWDEJCVYDG-UHFFFAOYSA-N
Molecular formula: C27H25ClN6O
Average molar mass: 485 g/mol

Names & identifiers

Preferred name: {8-(4-Chloro-phenyl)-2-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-5,6,7,8-tetrahydro-quinazolin-8-yl}-acetonitrile
IUPAC: 2-[8-(4-chlorophenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6,7-dihydro-5H-quinazolin-8-yl]acetonitrile

Names & synonyms

SCHEMBL1617349KZHOEWDEJCVYDG-UHFFFAOYSA-N{8-(4-Chloro-phenyl)-2-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-5,6,7,8-tetrahydro-quinazolin-8-yl}-acetonitrile

Database identifiers

PubChem CID: 57780702

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 88.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 753

Related reactions

1 records

New reaction record

HRID 2076059As productuspto-grants-2011_04

Compound notes

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