4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one

C22H19ClN2O3 — CID 102384485

IUPAC4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2
InChIInChI=1S/C22H19ClN2O3/c1-27-19-12-17-18(13-20(19)28-2)24-22(26)25(16-6-4-3-5-7-16)21(17)14-8-10-15(23)11-9-14/h3-13,21H,1-2H3,(H,24,26)
InChIKeyJEVIXDOUUDJLFA-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.50
Rot. Bonds4

About 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one

4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one (PubChem CID 102384485) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
PubChem CID102384485
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2
InChIInChI=1S/C22H19ClN2O3/c1-27-19-12-17-18(13-20(19)28-2)24-22(26)25(16-6-4-3-5-7-16)21(17)14-8-10-15(23)11-9-14/h3-13,21H,1-2H3,(H,24,26)
InChIKeyJEVIXDOUUDJLFA-UHFFFAOYSA-N
XLogP5.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384479
6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one
CID 102384481
(5R)-1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1372232
6-aminooxy-1-(4-chlorophenyl)-7-methoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one
CID 90464049
(5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione
CID 69095941
(4E)-5-(4-chlorophenyl)-4-[(3,5-dichloro-2-methoxyphenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione
CID 108641179
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 5441845
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(4Z)-1-(4-chlorophenyl)-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108582543
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
9-(4-chlorophenyl)-6,7-dimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
CID 2952417
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]-1-phenylpyrrolidine-2,3-dione
CID 108580952

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one (CID 102384485) is 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one is COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2.
What is the InChIKey of 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one?
The InChIKey is JEVIXDOUUDJLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-27-19-12-17-18(13-20(19)28-2)24-22(26)25(16-6-4-3-5-7-16)21(17)14-8-10-15(23)11-9-14/h3-13,21H,1-2H3,(H,24,26).
What are the key properties of 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one?
4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one has a molecular weight of 394.86 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 102384485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).