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

C15H11BrClN3 — CID 64981527

IUPAC6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2Cl)nc2ccc(Br)cc12
InChIInChI=1S/C15H11BrClN3/c1-18-14-11-8-9(16)6-7-13(11)19-15(20-14)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19,20)
InChIKeyJILOAOQOKOPPOP-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.75
Rot. Bonds2

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

6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine (PubChem CID 64981527) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
PubChem CID64981527
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2Cl)nc2ccc(Br)cc12
InChIInChI=1S/C15H11BrClN3/c1-18-14-11-8-9(16)6-7-13(11)19-15(20-14)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19,20)
InChIKeyJILOAOQOKOPPOP-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine (CID 64981527) is 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2ccccc2Cl)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine?
The InChIKey is JILOAOQOKOPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c1-18-14-11-8-9(16)6-7-13(11)19-15(20-14)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19,20).
What are the key properties of 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine?
6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine has a molecular weight of 348.63 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).