3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one

C16H9Cl2N5O — CID 150091492

IUPAC3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one
SMILESO=c1c2cc(-n3cncn3)ccc2ncn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2N5O/c17-10-1-4-15(13(18)5-10)22-9-20-14-3-2-11(6-12(14)16(22)24)23-8-19-7-21-23/h1-9H
InChIKeyDTHROYZEWPEFGY-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.27
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one

3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one (PubChem CID 150091492) has the molecular formula C16H9Cl2N5O and a molecular weight of 358.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one
PubChem CID150091492
Molecular FormulaC16H9Cl2N5O
Molecular Weight358.19 g/mol
Exact Mass357.02
IUPAC Name3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one
SMILESO=c1c2cc(-n3cncn3)ccc2ncn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2N5O/c17-10-1-4-15(13(18)5-10)22-9-20-14-3-2-11(6-12(14)16(22)24)23-8-19-7-21-23/h1-9H
InChIKeyDTHROYZEWPEFGY-UHFFFAOYSA-N
XLogP3.27
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one (CID 150091492) is 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one is O=c1c2cc(-n3cncn3)ccc2ncn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one?
The InChIKey is DTHROYZEWPEFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5O/c17-10-1-4-15(13(18)5-10)22-9-20-14-3-2-11(6-12(14)16(22)24)23-8-19-7-21-23/h1-9H.
What are the key properties of 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one?
3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one has a molecular weight of 358.19 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-one is sourced from PubChem (CID 150091492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).