6-chloro-2-(4-methylphenyl)-4-phenylquinazoline

C21H15ClN2 — CID 71348736

IUPAC6-chloro-2-(4-methylphenyl)-4-phenylquinazoline
SMILESCc1ccc(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H15ClN2/c1-14-7-9-16(10-8-14)21-23-19-12-11-17(22)13-18(19)20(24-21)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyKNAFFPQINAHXPJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP5.93
Rot. Bonds2

About 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline

6-chloro-2-(4-methylphenyl)-4-phenylquinazoline (PubChem CID 71348736) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)-4-phenylquinazoline
PubChem CID71348736
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name6-chloro-2-(4-methylphenyl)-4-phenylquinazoline
SMILESCc1ccc(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H15ClN2/c1-14-7-9-16(10-8-14)21-23-19-12-11-17(22)13-18(19)20(24-21)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyKNAFFPQINAHXPJ-UHFFFAOYSA-N
XLogP5.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline (CID 71348736) is 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline is Cc1ccc(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline?
The InChIKey is KNAFFPQINAHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2/c1-14-7-9-16(10-8-14)21-23-19-12-11-17(22)13-18(19)20(24-21)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline?
6-chloro-2-(4-methylphenyl)-4-phenylquinazoline has a molecular weight of 330.82 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)-4-phenylquinazoline is sourced from PubChem (CID 71348736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).