4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one

C22H15ClN2O3 — CID 68689459

IUPAC4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one
SMILESCOc1ccc(C(=O)c2ccc3[nH]c(=O)nc(-c4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C22H15ClN2O3/c1-28-17-8-5-13(6-9-17)21(26)15-7-10-19-18(12-15)20(25-22(27)24-19)14-3-2-4-16(23)11-14/h2-12H,1H3,(H,24,25,27)
InChIKeyPCHVWJQBVUXHOZ-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.48
Rot. Bonds4

About 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one

4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one (PubChem CID 68689459) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one
PubChem CID68689459
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one
SMILESCOc1ccc(C(=O)c2ccc3[nH]c(=O)nc(-c4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C22H15ClN2O3/c1-28-17-8-5-13(6-9-17)21(26)15-7-10-19-18(12-15)20(25-22(27)24-19)14-3-2-4-16(23)11-14/h2-12H,1H3,(H,24,25,27)
InChIKeyPCHVWJQBVUXHOZ-UHFFFAOYSA-N
XLogP4.48
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one (CID 68689459) is 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one is COc1ccc(C(=O)c2ccc3[nH]c(=O)nc(-c4cccc(Cl)c4)c3c2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one?
The InChIKey is PCHVWJQBVUXHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c1-28-17-8-5-13(6-9-17)21(26)15-7-10-19-18(12-15)20(25-22(27)24-19)14-3-2-4-16(23)11-14/h2-12H,1H3,(H,24,25,27).
What are the key properties of 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one?
4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one has a molecular weight of 390.83 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one is sourced from PubChem (CID 68689459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).