2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one

C20H19N3O4S — CID 138454600

IUPAC2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2n2c(C)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-12-21-15-7-5-4-6-14(15)19(25)22(12)23-18(24)11-28-20(23)13-8-9-16(26-2)17(10-13)27-3/h4-10,20H,11H2,1-3H3
InChIKeyGBVBFXIVFXKNCA-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.63
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one

2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one (PubChem CID 138454600) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one
PubChem CID138454600
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2n2c(C)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-12-21-15-7-5-4-6-14(15)19(25)22(12)23-18(24)11-28-20(23)13-8-9-16(26-2)17(10-13)27-3/h4-10,20H,11H2,1-3H3
InChIKeyGBVBFXIVFXKNCA-UHFFFAOYSA-N
XLogP2.63
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
Ethyl 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-hydroquinazolin-2-ylthio}ace tate
CID 1071945
3-Ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 2105619
3-(3,4-Dimethoxy-benzylidene)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 5384829
2-[5-(3,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylmethylsulfanyl]-3-isobutyl-3H-quinazolin-4-one
CID 650282
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 1085339
3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155441
3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-ethylsulfanyl-3H-quinazolin-4-one
CID 1157595
2-(ethylthio)-6,7-dimethoxy-3-(2-phenylethyl)-4(3H)-quinazolinone
CID 2038131
N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
CID 2120573
3-[2-[(cyanomethyl)thio]-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 3236090
2-{[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-7,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio}-N,N-diethylacetamide
CID 3244143

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one (CID 138454600) is 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2n2c(C)nc3ccccc3c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is GBVBFXIVFXKNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-12-21-15-7-5-4-6-14(15)19(25)22(12)23-18(24)11-28-20(23)13-8-9-16(26-2)17(10-13)27-3/h4-10,20H,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one?
2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 397.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 138454600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).