6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one

C28H21ClN2O2 — CID 143174772

IUPAC6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cc3)cc2c(=O)n1C
InChIInChI=1S/C28H21ClN2O2/c1-31-27(23-5-3-4-6-26(23)33-2)30-25-16-13-21(17-24(25)28(31)32)20-9-7-18(8-10-20)19-11-14-22(29)15-12-19/h3-17H,1-2H3
InChIKeyZKJBOHCWFVJXNW-UHFFFAOYSA-N
MW452.94 g/mol
LogP6.60
Rot. Bonds4

About 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one

6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one (PubChem CID 143174772) has the molecular formula C28H21ClN2O2 and a molecular weight of 452.94 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
PubChem CID143174772
Molecular FormulaC28H21ClN2O2
Molecular Weight452.94 g/mol
Exact Mass452.13
IUPAC Name6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cc3)cc2c(=O)n1C
InChIInChI=1S/C28H21ClN2O2/c1-31-27(23-5-3-4-6-26(23)33-2)30-25-16-13-21(17-24(25)28(31)32)20-9-7-18(8-10-20)19-11-14-22(29)15-12-19/h3-17H,1-2H3
InChIKeyZKJBOHCWFVJXNW-UHFFFAOYSA-N
XLogP6.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
CID 141476314
6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one
CID 143175130
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 54711736
7-chloro-3-[(2-methoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 54210302
6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 23630817
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
6-chloro-2-(2-methoxyphenyl)quinoline
CID 39818676
6-chloro-3-methyl-2-[4-(3-methyloxiran-2-yl)oxyphenyl]quinazolin-4-one
CID 20504702
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314
1-(4-chlorophenyl)-6,7-dimethoxy-2-phenylisoquinolin-3-one
CID 134912871
2-[6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 174560057

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one?
The IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one (CID 143174772) is 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one?
The canonical SMILES for 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one is COc1ccccc1-c1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cc3)cc2c(=O)n1C.
What is the InChIKey of 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one?
The InChIKey is ZKJBOHCWFVJXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O2/c1-31-27(23-5-3-4-6-26(23)33-2)30-25-16-13-21(17-24(25)28(31)32)20-9-7-18(8-10-20)19-11-14-22(29)15-12-19/h3-17H,1-2H3.
What are the key properties of 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one?
6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one has a molecular weight of 452.94 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 143174772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).