3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

C18H14N4O2S — CID 24797168

IUPAC3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
SMILESCOc1ccc(-c2nnc(-n3c(C)nc4ccccc4c3=O)s2)cc1
InChIInChI=1S/C18H14N4O2S/c1-11-19-15-6-4-3-5-14(15)17(23)22(11)18-21-20-16(25-18)12-7-9-13(24-2)10-8-12/h3-10H,1-2H3
InChIKeyVUCGKZVLVLHEPG-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.22
Rot. Bonds3

About 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one (PubChem CID 24797168) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
PubChem CID24797168
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
SMILESCOc1ccc(-c2nnc(-n3c(C)nc4ccccc4c3=O)s2)cc1
InChIInChI=1S/C18H14N4O2S/c1-11-19-15-6-4-3-5-14(15)17(23)22(11)18-21-20-16(25-18)12-7-9-13(24-2)10-8-12/h3-10H,1-2H3
InChIKeyVUCGKZVLVLHEPG-UHFFFAOYSA-N
XLogP3.22
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one
CID 50905608
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one
CID 25111803
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 10854032
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one (CID 24797168) is 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one is COc1ccc(-c2nnc(-n3c(C)nc4ccccc4c3=O)s2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one?
The InChIKey is VUCGKZVLVLHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-19-15-6-4-3-5-14(15)17(23)22(11)18-21-20-16(25-18)12-7-9-13(24-2)10-8-12/h3-10H,1-2H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one?
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one has a molecular weight of 350.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one is sourced from PubChem (CID 24797168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).