3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one

C16H11ClN4OS — CID 47061150

IUPAC3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2csnn2)N1c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4OS/c17-10-4-3-5-11(8-10)21-15(14-9-23-20-19-14)18-13-7-2-1-6-12(13)16(21)22/h1-9,15,18H
InChIKeyVVXIVJPXNSSFNW-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.96
Rot. Bonds2

About 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one

3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 47061150) has the molecular formula C16H11ClN4OS and a molecular weight of 342.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID47061150
Molecular FormulaC16H11ClN4OS
Molecular Weight342.81 g/mol
Exact Mass342.03
IUPAC Name3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2csnn2)N1c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4OS/c17-10-4-3-5-11(8-10)21-15(14-9-23-20-19-14)18-13-7-2-1-6-12(13)16(21)22/h1-9,15,18H
InChIKeyVVXIVJPXNSSFNW-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 47061150) is 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2csnn2)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VVXIVJPXNSSFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS/c17-10-4-3-5-11(8-10)21-15(14-9-23-20-19-14)18-13-7-2-1-6-12(13)16(21)22/h1-9,15,18H.
What are the key properties of 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 342.81 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 47061150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).