3-(3,4-dichlorophenyl)quinazolin-4-one

C14H8Cl2N2O — CID 824243

IUPAC3-(3,4-dichlorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-11-6-5-9(7-12(11)16)18-8-17-13-4-2-1-3-10(13)14(18)19/h1-8H
InChIKeyAADCKMNBUAAAFK-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.69
Rot. Bonds1

About 3-(3,4-dichlorophenyl)quinazolin-4-one

3-(3,4-dichlorophenyl)quinazolin-4-one (PubChem CID 824243) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)quinazolin-4-one
PubChem CID824243
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name3-(3,4-dichlorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-11-6-5-9(7-12(11)16)18-8-17-13-4-2-1-3-10(13)14(18)19/h1-8H
InChIKeyAADCKMNBUAAAFK-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.69
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)quinazolin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)quinazolin-4-one (CID 824243) is 3-(3,4-dichlorophenyl)quinazolin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)quinazolin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)quinazolin-4-one is O=c1c2ccccc2ncn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)quinazolin-4-one?
The InChIKey is AADCKMNBUAAAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-11-6-5-9(7-12(11)16)18-8-17-13-4-2-1-3-10(13)14(18)19/h1-8H.
What are the key properties of 3-(3,4-dichlorophenyl)quinazolin-4-one?
3-(3,4-dichlorophenyl)quinazolin-4-one has a molecular weight of 291.14 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)quinazolin-4-one is sourced from PubChem (CID 824243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).