7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide

C20H29N3O5S — CID 56563593

IUPAC7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)CC1
InChIInChI=1S/C20H29N3O5S/c1-4-9-29(27,28)23-7-5-13(6-8-23)21-18(25)15-10-14-16(22-19(15)26)11-20(2,3)12-17(14)24/h10,13H,4-9,11-12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVIDCNWUTJGRLGU-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.46
Rot. Bonds5

About 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56563593) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56563593
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)CC1
InChIInChI=1S/C20H29N3O5S/c1-4-9-29(27,28)23-7-5-13(6-8-23)21-18(25)15-10-14-16(22-19(15)26)11-20(2,3)12-17(14)24/h10,13H,4-9,11-12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVIDCNWUTJGRLGU-UHFFFAOYSA-N
XLogP1.46
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565515
7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
CID 120555189
N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495467
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
N,N-diethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495491
(2S,3S)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-3-methylpentanoic acid
CID 119193879
7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 17020151
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559994
N-[2-(ethylaminomethyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119439243
7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 167908104
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564223

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56563593) is 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)CC1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is VIDCNWUTJGRLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-4-9-29(27,28)23-7-5-13(6-8-23)21-18(25)15-10-14-16(22-19(15)26)11-20(2,3)12-17(14)24/h10,13H,4-9,11-12H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56563593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).