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

C20H21N3O4S — CID 2428020

IUPAC2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC
InChIInChI=1S/C20H21N3O4S/c1-4-21-18(24)12-28-20-22-15-8-6-5-7-14(15)19(25)23(20)16-11-13(26-2)9-10-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyNIMDSBNXJVKWIY-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.63
Rot. Bonds7

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

2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide (PubChem CID 2428020) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
PubChem CID2428020
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC
InChIInChI=1S/C20H21N3O4S/c1-4-21-18(24)12-28-20-22-15-8-6-5-7-14(15)19(25)23(20)16-11-13(26-2)9-10-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyNIMDSBNXJVKWIY-UHFFFAOYSA-N
XLogP2.63
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylsulfanyl}-3H-quinazolin-4-one
CID 10717287
N-[2-(difluoromethoxy)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3957854
N-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3538174
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]sulfanyl}acetamide
CID 1073127

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide (CID 2428020) is 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide is CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide?
The InChIKey is NIMDSBNXJVKWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-4-21-18(24)12-28-20-22-15-8-6-5-7-14(15)19(25)23(20)16-11-13(26-2)9-10-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide?
2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide has a molecular weight of 399.47 g/mol, XLogP of 2.63, 7 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-ethylacetamide is sourced from PubChem (CID 2428020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).