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

C25H25N3O3S — CID 46925538

IUPAC2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O3S/c1-17(2)18-9-11-19(12-10-18)26-23(29)16-28-22-8-4-3-7-21(22)24(30)27(25(28)31)14-13-20-6-5-15-32-20/h3-12,15,17H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyPLBBGYFEWJXTSJ-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.23
Rot. Bonds7

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

2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46925538) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID46925538
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O3S/c1-17(2)18-9-11-19(12-10-18)26-23(29)16-28-22-8-4-3-7-21(22)24(30)27(25(28)31)14-13-20-6-5-15-32-20/h3-12,15,17H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyPLBBGYFEWJXTSJ-UHFFFAOYSA-N
XLogP4.23
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925575
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
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594
5-[2,4-dioxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]quinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50762879
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 51046705
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925514
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
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-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 46925538) is 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is PLBBGYFEWJXTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17(2)18-9-11-19(12-10-18)26-23(29)16-28-22-8-4-3-7-21(22)24(30)27(25(28)31)14-13-20-6-5-15-32-20/h3-12,15,17H,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 447.56 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46925538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).