2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine

C15H10BrCl2N3 — CID 64981113

IUPAC2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Br)ccc2Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C15H10BrCl2N3/c1-19-14-11-7-9(17)3-5-13(11)20-15(21-14)10-6-8(16)2-4-12(10)18/h2-7H,1H3,(H,19,20,21)
InChIKeyVXYMQVMSRIJKDK-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.41
Rot. Bonds2

About 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine

2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine (PubChem CID 64981113) has the molecular formula C15H10BrCl2N3 and a molecular weight of 383.08 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
PubChem CID64981113
Molecular FormulaC15H10BrCl2N3
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Br)ccc2Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C15H10BrCl2N3/c1-19-14-11-7-9(17)3-5-13(11)20-15(21-14)10-6-8(16)2-4-12(10)18/h2-7H,1H3,(H,19,20,21)
InChIKeyVXYMQVMSRIJKDK-UHFFFAOYSA-N
XLogP5.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine (CID 64981113) is 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine is CNc1nc(-c2cc(Br)ccc2Cl)nc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine?
The InChIKey is VXYMQVMSRIJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3/c1-19-14-11-7-9(17)3-5-13(11)20-15(21-14)10-6-8(16)2-4-12(10)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine?
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine has a molecular weight of 383.08 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).