N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide

C25H23N3O3S — CID 46925612

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H23N3O3S/c29-23(26-19-11-10-17-5-3-6-18(17)15-19)16-28-22-9-2-1-8-21(22)24(30)27(25(28)31)13-12-20-7-4-14-32-20/h1-2,4,7-11,14-15H,3,5-6,12-13,16H2,(H,26,29)
InChIKeyMWKSIBSXPBFCSD-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.59
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide (PubChem CID 46925612) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
PubChem CID46925612
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H23N3O3S/c29-23(26-19-11-10-17-5-3-6-18(17)15-19)16-28-22-9-2-1-8-21(22)24(30)27(25(28)31)13-12-20-7-4-14-32-20/h1-2,4,7-11,14-15H,3,5-6,12-13,16H2,(H,26,29)
InChIKeyMWKSIBSXPBFCSD-UHFFFAOYSA-N
XLogP3.59
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.59
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
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46925538
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 46925615
N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8570201
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925514
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50742864
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione
CID 91962397
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide (CID 46925612) is N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide is O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The InChIKey is MWKSIBSXPBFCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-23(26-19-11-10-17-5-3-6-18(17)15-19)16-28-22-9-2-1-8-21(22)24(30)27(25(28)31)13-12-20-7-4-14-32-20/h1-2,4,7-11,14-15H,3,5-6,12-13,16H2,(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide is sourced from PubChem (CID 46925612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).