3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one

C15H10Cl2N2O — CID 853211

IUPAC3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O/c16-12-6-5-10(7-13(12)17)8-19-9-18-14-4-2-1-3-11(14)15(19)20/h1-7,9H,8H2
InChIKeyXYCGAOUOWCNUOV-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.75
Rot. Bonds2

About 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one

3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one (PubChem CID 853211) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one
PubChem CID853211
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O/c16-12-6-5-10(7-13(12)17)8-19-9-18-14-4-2-1-3-11(14)15(19)20/h1-7,9H,8H2
InChIKeyXYCGAOUOWCNUOV-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one (CID 853211) is 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one?
The InChIKey is XYCGAOUOWCNUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-12-6-5-10(7-13(12)17)8-19-9-18-14-4-2-1-3-11(14)15(19)20/h1-7,9H,8H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one?
3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one has a molecular weight of 305.16 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 853211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).