4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline

C17H15ClN2 — CID 63496973

IUPAC4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
SMILESCc1ccc2nc(-c3cccc(C)c3C)nc(Cl)c2c1
InChIInChI=1S/C17H15ClN2/c1-10-7-8-15-14(9-10)16(18)20-17(19-15)13-6-4-5-11(2)12(13)3/h4-9H,1-3H3
InChIKeyWHMRMAORGOFJAD-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.88
Rot. Bonds1

About 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline

4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline (PubChem CID 63496973) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
PubChem CID63496973
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
SMILESCc1ccc2nc(-c3cccc(C)c3C)nc(Cl)c2c1
InChIInChI=1S/C17H15ClN2/c1-10-7-8-15-14(9-10)16(18)20-17(19-15)13-6-4-5-11(2)12(13)3/h4-9H,1-3H3
InChIKeyWHMRMAORGOFJAD-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline?
The IUPAC name of 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline (CID 63496973) is 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline is Cc1ccc2nc(-c3cccc(C)c3C)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline?
The InChIKey is WHMRMAORGOFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-10-7-8-15-14(9-10)16(18)20-17(19-15)13-6-4-5-11(2)12(13)3/h4-9H,1-3H3.
What are the key properties of 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline?
4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline has a molecular weight of 282.77 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline is sourced from PubChem (CID 63496973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).