2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine

C17H16ClN3 — CID 81316710

IUPAC2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(C)cc(Cl)c2)nc2c(C)cccc12
InChIInChI=1S/C17H16ClN3/c1-10-7-12(9-13(18)8-10)16-20-15-11(2)5-4-6-14(15)17(19-3)21-16/h4-9H,1-3H3,(H,19,20,21)
InChIKeyFEQLFWZMUUFEMT-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.61
Rot. Bonds2

About 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine

2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine (PubChem CID 81316710) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine
PubChem CID81316710
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(C)cc(Cl)c2)nc2c(C)cccc12
InChIInChI=1S/C17H16ClN3/c1-10-7-12(9-13(18)8-10)16-20-15-11(2)5-4-6-14(15)17(19-3)21-16/h4-9H,1-3H3,(H,19,20,21)
InChIKeyFEQLFWZMUUFEMT-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-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine
CID 64981282
6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64983276
2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine
CID 64981181
2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine
CID 81315844
N-[2-[3-chloro-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402780
6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64983930
2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine
CID 81129462
N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 64981637
6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine
CID 64983231
4-N-[2-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-1-N-ethylpentane-1,4-diamine
CID 145099318
2-(3-chloro-5-methylphenyl)quinazolin-4-amine
CID 81324898
2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
CID 142902246

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine (CID 81316710) is 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine is CNc1nc(-c2cc(C)cc(Cl)c2)nc2c(C)cccc12.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine?
The InChIKey is FEQLFWZMUUFEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-10-7-12(9-13(18)8-10)16-20-15-11(2)5-4-6-14(15)17(19-3)21-16/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine?
2-(3-chloro-5-methylphenyl)-N,8-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-5-methylphenyl)-N,8-dimethylquinazolin-4-amine is sourced from PubChem (CID 81316710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).