8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione

C14H8Cl2N2O2 — CID 117261960

IUPAC8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Cl)cccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C14H8Cl2N2O2/c15-9-5-1-2-7-11(9)18-13(19)8-4-3-6-10(16)12(8)17-14(18)20/h1-7H,(H,17,20)
InChIKeyLMAAGKHOUKETMC-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.99
Rot. Bonds1

About 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione

8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione (PubChem CID 117261960) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
PubChem CID117261960
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Cl)cccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C14H8Cl2N2O2/c15-9-5-1-2-7-11(9)18-13(19)8-4-3-6-10(16)12(8)17-14(18)20/h1-7H,(H,17,20)
InChIKeyLMAAGKHOUKETMC-UHFFFAOYSA-N
XLogP2.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-3-(2-chlorophenyl)-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 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione (CID 117261960) is 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2c(Cl)cccc2c(=O)n1-c1ccccc1Cl.
What is the InChIKey of 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione?
The InChIKey is LMAAGKHOUKETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-9-5-1-2-7-11(9)18-13(19)8-4-3-6-10(16)12(8)17-14(18)20/h1-7H,(H,17,20).
What are the key properties of 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione?
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione has a molecular weight of 307.14 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).