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

C24H19N5O3S — CID 50905608

IUPAC3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one
SMILESCOc1ccc(-c2nnc(Nc3nc4ccccc4c(=O)n3-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C24H19N5O3S/c1-31-17-11-7-15(8-12-17)21-27-28-24(33-21)26-23-25-20-6-4-3-5-19(20)22(30)29(23)16-9-13-18(32-2)14-10-16/h3-14H,1-2H3,(H,25,26,28)
InChIKeyORABQNHSGGYXME-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.66
Rot. Bonds6

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

3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one (PubChem CID 50905608) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one
PubChem CID50905608
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC Name3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one
SMILESCOc1ccc(-c2nnc(Nc3nc4ccccc4c(=O)n3-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C24H19N5O3S/c1-31-17-11-7-15(8-12-17)21-27-28-24(33-21)26-23-25-20-6-4-3-5-19(20)22(30)29(23)16-9-13-18(32-2)14-10-16/h3-14H,1-2H3,(H,25,26,28)
InChIKeyORABQNHSGGYXME-UHFFFAOYSA-N
XLogP4.66
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
CID 24797168
3-(4-methoxyphenyl)-2-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]quinazolin-4-one
CID 50906253
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
1-ethyl-4-hydroxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162645930

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one (CID 50905608) is 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one is COc1ccc(-c2nnc(Nc3nc4ccccc4c(=O)n3-c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one?
The InChIKey is ORABQNHSGGYXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-31-17-11-7-15(8-12-17)21-27-28-24(33-21)26-23-25-20-6-4-3-5-19(20)22(30)29(23)16-9-13-18(32-2)14-10-16/h3-14H,1-2H3,(H,25,26,28).
What are the key properties of 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one?
3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one has a molecular weight of 457.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one is sourced from PubChem (CID 50905608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).