1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C23H33N3O4S — CID 55435327

IUPAC1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H33N3O4S/c1-3-25(4-2)31(29,30)20-9-10-21-19(16-20)6-5-13-26(21)23(28)18-11-14-24(15-12-18)22(27)17-7-8-17/h9-10,16-18H,3-8,11-15H2,1-2H3
InChIKeyHKHLKLUIFFKSHU-UHFFFAOYSA-N
MW447.60 g/mol
LogP2.64
Rot. Bonds6

About 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435327) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435327
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H33N3O4S/c1-3-25(4-2)31(29,30)20-9-10-21-19(16-20)6-5-13-26(21)23(28)18-11-14-24(15-12-18)22(27)17-7-8-17/h9-10,16-18H,3-8,11-15H2,1-2H3
InChIKeyHKHLKLUIFFKSHU-UHFFFAOYSA-N
XLogP2.64
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N,N-diethyl-1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55759827
N-butyl-1-(cyclobutanecarbonyl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 15999100
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-(3-aminocyclohexanecarbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 119696140
N,N-diethyl-1-(piperidine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 119274837
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
N,N-diethyl-4-methyl-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340112
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55564764

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435327) is 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is HKHLKLUIFFKSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-3-25(4-2)31(29,30)20-9-10-21-19(16-20)6-5-13-26(21)23(28)18-11-14-24(15-12-18)22(27)17-7-8-17/h9-10,16-18H,3-8,11-15H2,1-2H3.
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 447.60 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).