4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline

C16H12Cl2N2 — CID 106860907

IUPAC4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cccc(C)c3n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2/c1-9-6-7-11(13(17)8-9)16-19-14-10(2)4-3-5-12(14)15(18)20-16/h3-8H,1-2H3
InChIKeyUWNVWNQANCDJBU-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.22
Rot. Bonds1

About 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline

4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline (PubChem CID 106860907) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
PubChem CID106860907
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cccc(C)c3n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2/c1-9-6-7-11(13(17)8-9)16-19-14-10(2)4-3-5-12(14)15(18)20-16/h3-8H,1-2H3
InChIKeyUWNVWNQANCDJBU-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline
CID 63084485
4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
CID 114591032
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
CID 63086198
4-chloro-8-methylquinazolin-2-amine
CID 10035504
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
4-chloro-2,8-dimethylquinazoline
CID 71721381
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline (CID 106860907) is 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline is Cc1ccc(-c2nc(Cl)c3cccc(C)c3n2)c(Cl)c1.
What is the InChIKey of 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline?
The InChIKey is UWNVWNQANCDJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-9-6-7-11(13(17)8-9)16-19-14-10(2)4-3-5-12(14)15(18)20-16/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline?
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline has a molecular weight of 303.19 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline is sourced from PubChem (CID 106860907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).