3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one

C15H10Cl2N2O — CID 588867

IUPAC3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O/c1-9-18-14-5-3-2-4-11(14)15(20)19(9)10-6-7-12(16)13(17)8-10/h2-8H,1H3
InChIKeyGDKQIWUTAZIASG-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.00
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one

3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one (PubChem CID 588867) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one
PubChem CID588867
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O/c1-9-18-14-5-3-2-4-11(14)15(20)19(9)10-6-7-12(16)13(17)8-10/h2-8H,1H3
InChIKeyGDKQIWUTAZIASG-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.00
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)-2-methylquinazolin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one (CID 588867) is 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one?
The InChIKey is GDKQIWUTAZIASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-9-18-14-5-3-2-4-11(14)15(20)19(9)10-6-7-12(16)13(17)8-10/h2-8H,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one?
3-(3,4-dichlorophenyl)-2-methylquinazolin-4-one has a molecular weight of 305.16 g/mol, XLogP of 4.00, 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)-2-methylquinazolin-4-one is sourced from PubChem (CID 588867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).