6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine

C16H13BrClN3 — CID 107100397

IUPAC6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2C)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrClN3/c1-9-11(4-3-5-13(9)18)16-20-14-7-6-10(17)8-12(14)15(19-2)21-16/h3-8H,1-2H3,(H,19,20,21)
InChIKeyPKWHWAXAJCBZRU-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.06
Rot. Bonds2

About 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine

6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine (PubChem CID 107100397) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine
PubChem CID107100397
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2C)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrClN3/c1-9-11(4-3-5-13(9)18)16-20-14-7-6-10(17)8-12(14)15(19-2)21-16/h3-8H,1-2H3,(H,19,20,21)
InChIKeyPKWHWAXAJCBZRU-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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Related Compounds

6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
CID 64981527
6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64981376
2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine
CID 64981078
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
2-(4-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981367
6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
CID 64981421
2-(4-bromo-2-chlorophenyl)-7-chloro-N-methylquinazolin-4-amine
CID 64981011
6-bromo-2-(2-chlorophenyl)quinazolin-4-amine
CID 64983536
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
CID 64981378

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine (CID 107100397) is 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2cccc(Cl)c2C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine?
The InChIKey is PKWHWAXAJCBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-9-11(4-3-5-13(9)18)16-20-14-7-6-10(17)8-12(14)15(19-2)21-16/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine?
6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-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 6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 107100397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).