3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione

C15H10Cl2N2O2 — CID 14458934

IUPAC3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-11-6-5-9(7-12(11)17)8-19-14(20)10-3-1-2-4-13(10)18-15(19)21/h1-7H,8H2,(H,18,21)
InChIKeySZOXHZFAHOKCEP-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.04
Rot. Bonds2

About 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione

3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione (PubChem CID 14458934) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione
PubChem CID14458934
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-11-6-5-9(7-12(11)17)8-19-14(20)10-3-1-2-4-13(10)18-15(19)21/h1-7H,8H2,(H,18,21)
InChIKeySZOXHZFAHOKCEP-UHFFFAOYSA-N
XLogP3.04
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione (CID 14458934) is 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione?
The InChIKey is SZOXHZFAHOKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-11-6-5-9(7-12(11)17)8-19-14(20)10-3-1-2-4-13(10)18-15(19)21/h1-7H,8H2,(H,18,21).
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione?
3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione has a molecular weight of 321.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 14458934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).