2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine

C17H16ClN3 — CID 64981583

IUPAC2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)c(Cl)c2)nc2ccc(C)cc12
InChIInChI=1S/C17H16ClN3/c1-10-4-7-15-13(8-10)17(19-3)21-16(20-15)12-6-5-11(2)14(18)9-12/h4-9H,1-3H3,(H,19,20,21)
InChIKeyQZGVTNXZXUBMON-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.61
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine

2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine (PubChem CID 64981583) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine
PubChem CID64981583
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)c(Cl)c2)nc2ccc(C)cc12
InChIInChI=1S/C17H16ClN3/c1-10-4-7-15-13(8-10)17(19-3)21-16(20-15)12-6-5-11(2)14(18)9-12/h4-9H,1-3H3,(H,19,20,21)
InChIKeyQZGVTNXZXUBMON-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine
CID 82875208
6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
CID 64981216
2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine
CID 64981078
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
CID 64981378
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
CID 64981585
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
CID 63498026
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 106818393

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine (CID 64981583) is 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine is CNc1nc(-c2ccc(C)c(Cl)c2)nc2ccc(C)cc12.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine?
The InChIKey is QZGVTNXZXUBMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-10-4-7-15-13(8-10)17(19-3)21-16(20-15)12-6-5-11(2)14(18)9-12/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine?
2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine is sourced from PubChem (CID 64981583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).