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

C13H12Cl2N6O — CID 27912192

IUPAC6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
SMILESCCCn1nnnc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C13H12Cl2N6O/c1-2-3-21-11(17-18-19-21)6-20-7-16-12-9(13(20)22)4-8(14)5-10(12)15/h4-5,7H,2-3,6H2,1H3
InChIKeyHQTJKUYCHKSEAA-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.15
Rot. Bonds4

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

6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one (PubChem CID 27912192) has the molecular formula C13H12Cl2N6O and a molecular weight of 339.19 g/mol. Its IUPAC name is 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
PubChem CID27912192
Molecular FormulaC13H12Cl2N6O
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
SMILESCCCn1nnnc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C13H12Cl2N6O/c1-2-3-21-11(17-18-19-21)6-20-7-16-12-9(13(20)22)4-8(14)5-10(12)15/h4-5,7H,2-3,6H2,1H3
InChIKeyHQTJKUYCHKSEAA-UHFFFAOYSA-N
XLogP2.15
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,8-dichloro-3-[(1-propyltetrazol-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-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one (CID 27912192) is 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one is CCCn1nnnc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is HQTJKUYCHKSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N6O/c1-2-3-21-11(17-18-19-21)6-20-7-16-12-9(13(20)22)4-8(14)5-10(12)15/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 339.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 27912192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).