3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide

C18H21N3O4S — CID 113121709

IUPAC3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21N3O4S/c1-13(22)21(15-8-11-26(24,25)12-15)10-7-17(23)20-16-6-2-4-14-5-3-9-19-18(14)16/h2-6,9,15H,7-8,10-12H2,1H3,(H,20,23)
InChIKeyJWOMVIMQNRXPTG-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.60
Rot. Bonds5

About 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide

3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide (PubChem CID 113121709) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide
PubChem CID113121709
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21N3O4S/c1-13(22)21(15-8-11-26(24,25)12-15)10-7-17(23)20-16-6-2-4-14-5-3-9-19-18(14)16/h2-6,9,15H,7-8,10-12H2,1H3,(H,20,23)
InChIKeyJWOMVIMQNRXPTG-UHFFFAOYSA-N
XLogP1.60
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-quinolin-8-ylurea
CID 108989443
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121662
1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978101
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 113121684
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109285441
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide (CID 113121709) is 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide is CC(=O)N(CCC(=O)Nc1cccc2cccnc12)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide?
The InChIKey is JWOMVIMQNRXPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(22)21(15-8-11-26(24,25)12-15)10-7-17(23)20-16-6-2-4-14-5-3-9-19-18(14)16/h2-6,9,15H,7-8,10-12H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide?
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide has a molecular weight of 375.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113121709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).