6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

C12H8Cl2N4O2 — CID 18147229

IUPAC6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1noc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)n1
InChIInChI=1S/C12H8Cl2N4O2/c1-6-16-10(20-17-6)4-18-5-15-11-8(12(18)19)2-7(13)3-9(11)14/h2-3,5H,4H2,1H3
InChIKeyWGVPUCXIBMVXBE-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.44
Rot. Bonds2

About 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 18147229) has the molecular formula C12H8Cl2N4O2 and a molecular weight of 311.13 g/mol. Its IUPAC name is 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
PubChem CID18147229
Molecular FormulaC12H8Cl2N4O2
Molecular Weight311.13 g/mol
Exact Mass310.00
IUPAC Name6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1noc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)n1
InChIInChI=1S/C12H8Cl2N4O2/c1-6-16-10(20-17-6)4-18-5-15-11-8(12(18)19)2-7(13)3-9(11)14/h2-3,5H,4H2,1H3
InChIKeyWGVPUCXIBMVXBE-UHFFFAOYSA-N
XLogP2.44
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one 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 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (CID 18147229) is 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is Cc1noc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)n1.
What is the InChIKey of 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is WGVPUCXIBMVXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O2/c1-6-16-10(20-17-6)4-18-5-15-11-8(12(18)19)2-7(13)3-9(11)14/h2-3,5H,4H2,1H3.
What are the key properties of 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 311.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 18147229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).