N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

C25H38N4O4S — CID 20967956

IUPACN-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
SMILESCC(C)CN(CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12)CC(C)C
InChIInChI=1S/C25H38N4O4S/c1-18(2)16-28(17-19(3)4)13-10-26-25(31)22-15-24(30)27-23-9-8-20(14-21(22)23)34(32,33)29-11-6-5-7-12-29/h8-9,14-15,18-19H,5-7,10-13,16-17H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyLMAQVYRGJKKXOC-UHFFFAOYSA-N
MW490.67 g/mol
LogP3.05
Rot. Bonds10

About N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide (PubChem CID 20967956) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
PubChem CID20967956
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
SMILESCC(C)CN(CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12)CC(C)C
InChIInChI=1S/C25H38N4O4S/c1-18(2)16-28(17-19(3)4)13-10-26-25(31)22-15-24(30)27-23-9-8-20(14-21(22)23)34(32,33)29-11-6-5-7-12-29/h8-9,14-15,18-19H,5-7,10-13,16-17H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyLMAQVYRGJKKXOC-UHFFFAOYSA-N
XLogP3.05
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)-2-oxo-1H-quinoline-4-carboxamide
CID 22427069
6-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 15996678
6-(azepan-1-ylsulfonyl)-N-[3-[butyl(ethyl)amino]propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 20967890
6-(azepan-1-ylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427070
2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-benzyl-methylazanium
CID 5086035
N-[3-(N-butylanilino)propyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
CID 20967939
6-(azepan-1-ylsulfonyl)-N-[3-(4-benzylpiperidin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 46372035
2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 5008714
6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
CID 15994470
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 42427772
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 40782973

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide (CID 20967956) is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide is CC(C)CN(CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12)CC(C)C.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide?
The InChIKey is LMAQVYRGJKKXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-18(2)16-28(17-19(3)4)13-10-26-25(31)22-15-24(30)27-23-9-8-20(14-21(22)23)34(32,33)29-11-6-5-7-12-29/h8-9,14-15,18-19H,5-7,10-13,16-17H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide?
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide has a molecular weight of 490.67 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 20967956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).