2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine

C16H13BrClN3 — CID 64981078

IUPAC2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Br)ccc2Cl)nc2ccc(C)cc12
InChIInChI=1S/C16H13BrClN3/c1-9-3-6-14-12(7-9)15(19-2)21-16(20-14)11-8-10(17)4-5-13(11)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyGOZFHHQQXPPHRQ-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.06
Rot. Bonds2

About 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine

2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine (PubChem CID 64981078) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine
PubChem CID64981078
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Br)ccc2Cl)nc2ccc(C)cc12
InChIInChI=1S/C16H13BrClN3/c1-9-3-6-14-12(7-9)15(19-2)21-16(20-14)11-8-10(17)4-5-13(11)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyGOZFHHQQXPPHRQ-UHFFFAOYSA-N
XLogP5.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.06
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)-N,6-dimethylquinazolin-4-amine?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine (CID 64981078) is 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine is CNc1nc(-c2cc(Br)ccc2Cl)nc2ccc(C)cc12.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine?
The InChIKey is GOZFHHQQXPPHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-9-3-6-14-12(7-9)15(19-2)21-16(20-14)11-8-10(17)4-5-13(11)18/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine?
2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine has a molecular weight of 362.66 g/mol, XLogP of 5.06, 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)-N,6-dimethylquinazolin-4-amine is sourced from PubChem (CID 64981078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).