N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

C24H35N3O4S — CID 50794882

IUPACN-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C24H35N3O4S/c1-18-12-14-26(15-13-18)32(30,31)21-9-10-22-19(16-21)8-11-24(29)27(22)17-23(28)25-20-6-4-2-3-5-7-20/h9-10,16,18,20H,2-8,11-15,17H2,1H3,(H,25,28)
InChIKeyKQUVXNSJYACTJX-UHFFFAOYSA-N
MW461.63 g/mol
LogP3.23
Rot. Bonds5

About N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (PubChem CID 50794882) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
PubChem CID50794882
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC NameN-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C24H35N3O4S/c1-18-12-14-26(15-13-18)32(30,31)21-9-10-22-19(16-21)8-11-24(29)27(22)17-23(28)25-20-6-4-2-3-5-7-20/h9-10,16,18,20H,2-8,11-15,17H2,1H3,(H,25,28)
InChIKeyKQUVXNSJYACTJX-UHFFFAOYSA-N
XLogP3.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide with MolForge

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Related Compounds

2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide
CID 50794842
2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-propylacetamide
CID 53122441
N-cyclohexyl-2-[(2S)-2-methyl-7-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 93059588
N-(2-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794890
N-(2-methoxyethyl)-2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 53122448
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 50794817
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50794846
N-butyl-N-methyl-2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 53122452
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20958735
N-cyclopropyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20876450
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 46345267
N-cyclohexyl-2-[(2R)-2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 92751856

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (CID 50794882) is N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
The InChIKey is KQUVXNSJYACTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-18-12-14-26(15-13-18)32(30,31)21-9-10-22-19(16-21)8-11-24(29)27(22)17-23(28)25-20-6-4-2-3-5-7-20/h9-10,16,18,20H,2-8,11-15,17H2,1H3,(H,25,28).
What are the key properties of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide has a molecular weight of 461.63 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is sourced from PubChem (CID 50794882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).