7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline

C22H17ClN2O — CID 50911054

IUPAC7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline
SMILESCOc1cccc(-c2nc(-c3cccc(C)c3)nc3cc(Cl)ccc23)c1
InChIInChI=1S/C22H17ClN2O/c1-14-5-3-7-16(11-14)22-24-20-13-17(23)9-10-19(20)21(25-22)15-6-4-8-18(12-15)26-2/h3-13H,1-2H3
InChIKeyYZLRYFHFNHMJEC-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.93
Rot. Bonds3

About 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline

7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline (PubChem CID 50911054) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline.

Molecular Properties

Compound Name7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline
PubChem CID50911054
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline
SMILESCOc1cccc(-c2nc(-c3cccc(C)c3)nc3cc(Cl)ccc23)c1
InChIInChI=1S/C22H17ClN2O/c1-14-5-3-7-16(11-14)22-24-20-13-17(23)9-10-19(20)21(25-22)15-6-4-8-18(12-15)26-2/h3-13H,1-2H3
InChIKeyYZLRYFHFNHMJEC-UHFFFAOYSA-N
XLogP5.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline?
The IUPAC name of 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline (CID 50911054) is 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline.
What is the SMILES notation for 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline?
The canonical SMILES for 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline is COc1cccc(-c2nc(-c3cccc(C)c3)nc3cc(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline?
The InChIKey is YZLRYFHFNHMJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c1-14-5-3-7-16(11-14)22-24-20-13-17(23)9-10-19(20)21(25-22)15-6-4-8-18(12-15)26-2/h3-13H,1-2H3.
What are the key properties of 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline?
7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline has a molecular weight of 360.84 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline is sourced from PubChem (CID 50911054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).