6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine

C16H13Cl2N3 — CID 64983276

IUPAC6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
SMILESCNc1nc(-c2cccc(C)c2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H13Cl2N3/c1-9-4-3-5-10(6-9)15-20-14-12(16(19-2)21-15)7-11(17)8-13(14)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyBEYUPEFTLBNYOM-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.95
Rot. Bonds2

About 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine

6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine (PubChem CID 64983276) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
PubChem CID64983276
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
SMILESCNc1nc(-c2cccc(C)c2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H13Cl2N3/c1-9-4-3-5-10(6-9)15-20-14-12(16(19-2)21-15)7-11(17)8-13(14)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyBEYUPEFTLBNYOM-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine
CID 64983231
6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64983930
2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine
CID 81316710
6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine
CID 64981282
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
6,8-dichloro-N-methylquinazolin-4-amine
CID 60726169
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66299903
6,8-dichloro-N-methyl-2-phenylquinolin-4-amine
CID 63481402

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine (CID 64983276) is 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine is CNc1nc(-c2cccc(C)c2)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine?
The InChIKey is BEYUPEFTLBNYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-9-4-3-5-10(6-9)15-20-14-12(16(19-2)21-15)7-11(17)8-13(14)18/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine?
6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine has a molecular weight of 318.21 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).