6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine

C16H14BrN3 — CID 64981376

IUPAC6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
SMILESCNc1nc(-c2ccccc2C)nc2ccc(Br)cc12
InChIInChI=1S/C16H14BrN3/c1-10-5-3-4-6-12(10)16-19-14-8-7-11(17)9-13(14)15(18-2)20-16/h3-9H,1-2H3,(H,18,19,20)
InChIKeyNTUVRMMDMKDMLZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.41
Rot. Bonds2

About 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine

6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine (PubChem CID 64981376) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
PubChem CID64981376
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
SMILESCNc1nc(-c2ccccc2C)nc2ccc(Br)cc12
InChIInChI=1S/C16H14BrN3/c1-10-5-3-4-6-12(10)16-19-14-8-7-11(17)9-13(14)15(18-2)20-16/h3-9H,1-2H3,(H,18,19,20)
InChIKeyNTUVRMMDMKDMLZ-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine (CID 64981376) is 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine is CNc1nc(-c2ccccc2C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
The InChIKey is NTUVRMMDMKDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-10-5-3-4-6-12(10)16-19-14-8-7-11(17)9-13(14)15(18-2)20-16/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine has a molecular weight of 328.21 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64981376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).