N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide

C24H21N3O4S — CID 46925575

IUPACN-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21N3O4S/c1-16(28)17-8-10-18(11-9-17)25-22(29)15-27-21-7-3-2-6-20(21)23(30)26(24(27)31)13-12-19-5-4-14-32-19/h2-11,14H,12-13,15H2,1H3,(H,25,29)
InChIKeyGPGZGOVYGCVOTM-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.31
Rot. Bonds7

About N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide

N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide (PubChem CID 46925575) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
PubChem CID46925575
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21N3O4S/c1-16(28)17-8-10-18(11-9-17)25-22(29)15-27-21-7-3-2-6-20(21)23(30)26(24(27)31)13-12-19-5-4-14-32-19/h2-11,14H,12-13,15H2,1H3,(H,25,29)
InChIKeyGPGZGOVYGCVOTM-UHFFFAOYSA-N
XLogP3.31
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46925538
N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925612
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 46925615
5-[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763150
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925514
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-(4-acetylphenyl)-2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923229
4-[[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 46247786
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
methyl 4-[[2-[2,4-dioxo-3-[5-oxo-5-(propan-2-ylamino)pentyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 27371261

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide (CID 46925575) is N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The InChIKey is GPGZGOVYGCVOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-16(28)17-8-10-18(11-9-17)25-22(29)15-27-21-7-3-2-6-20(21)23(30)26(24(27)31)13-12-19-5-4-14-32-19/h2-11,14H,12-13,15H2,1H3,(H,25,29).
What are the key properties of N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide has a molecular weight of 447.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide is sourced from PubChem (CID 46925575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).