2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide

C19H19N3O4S — CID 2454176

IUPAC2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC
InChIInChI=1S/C19H19N3O4S/c1-20-17(23)11-27-19-21-14-7-5-4-6-13(14)18(24)22(19)15-10-12(25-2)8-9-16(15)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyNJDDXGFSLFABCN-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide

2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide (PubChem CID 2454176) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
PubChem CID2454176
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC
InChIInChI=1S/C19H19N3O4S/c1-20-17(23)11-27-19-21-14-7-5-4-6-13(14)18(24)22(19)15-10-12(25-2)8-9-16(15)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyNJDDXGFSLFABCN-UHFFFAOYSA-N
XLogP2.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3957854
N-(2,5-diethoxyphenyl)-2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
CID 650996
N~1~-(2,5-dimethoxyphenyl)-N~2~-[(4-oxoquinazolin-3(4H)-yl)acetyl]glycinamide
CID 3237928
2-(2-methoxyanilino)-N-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 16022478
N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 651650
N-[2-methoxy-4-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]phenyl]-2-furancarboxamide
CID 652419
2-[3-(3-Methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 860123
2-[3-(4-ethoxyphenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]-N-(2-furylmethyl)acet amide
CID 1071174
2-(3-Ethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-(3-methoxy-phenyl)-acetamide
CID 1071918
N,N-diethyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1073127
2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide
CID 1280585
3-(2-methoxyphenyl)-2-(propylthio)quinazolin-4(3H)-one
CID 1967844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide (CID 2454176) is 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide is CNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is NJDDXGFSLFABCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-20-17(23)11-27-19-21-14-7-5-4-6-13(14)18(24)22(19)15-10-12(25-2)8-9-16(15)26-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 385.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 2454176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).