6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one

C21H14Cl2N2O2 — CID 110170813

IUPAC6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one
SMILESCOc1cc2[nH]c(=O)nc(-c3ccccc3)c2cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H14Cl2N2O2/c1-27-19-11-18-16(10-15(19)14-9-13(22)7-8-17(14)23)20(25-21(26)24-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,25,26)
InChIKeyNOXUMKZLXPFVCP-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.57
Rot. Bonds3

About 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one

6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one (PubChem CID 110170813) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one
PubChem CID110170813
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one
SMILESCOc1cc2[nH]c(=O)nc(-c3ccccc3)c2cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H14Cl2N2O2/c1-27-19-11-18-16(10-15(19)14-9-13(22)7-8-17(14)23)20(25-21(26)24-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,25,26)
InChIKeyNOXUMKZLXPFVCP-UHFFFAOYSA-N
XLogP5.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one?
The IUPAC name of 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one (CID 110170813) is 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one?
The canonical SMILES for 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one is COc1cc2[nH]c(=O)nc(-c3ccccc3)c2cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one?
The InChIKey is NOXUMKZLXPFVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c1-27-19-11-18-16(10-15(19)14-9-13(22)7-8-17(14)23)20(25-21(26)24-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,25,26).
What are the key properties of 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one?
6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one has a molecular weight of 397.26 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-7-methoxy-4-phenyl-1H-quinazolin-2-one is sourced from PubChem (CID 110170813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).