N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide

C18H24N4O4S — CID 133436623

IUPACN-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2cc(C)nc3c([N+](=O)[O-])cccc23)CC1
InChIInChI=1S/C18H24N4O4S/c1-3-11-27(25,26)20-14-7-9-21(10-8-14)17-12-13(2)19-18-15(17)5-4-6-16(18)22(23)24/h4-6,12,14,20H,3,7-11H2,1-2H3
InChIKeyCUQCWXMXBATGTN-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.75
Rot. Bonds6

About N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 133436623) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID133436623
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2cc(C)nc3c([N+](=O)[O-])cccc23)CC1
InChIInChI=1S/C18H24N4O4S/c1-3-11-27(25,26)20-14-7-9-21(10-8-14)17-12-13(2)19-18-15(17)5-4-6-16(18)22(23)24/h4-6,12,14,20H,3,7-11H2,1-2H3
InChIKeyCUQCWXMXBATGTN-UHFFFAOYSA-N
XLogP2.75
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133437306
N-ethyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]methanesulfonamide
CID 133437308
2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
CID 133436763
2-methyl-8-nitro-4-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 133436964
methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
N,N-dimethyl-1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidin-3-amine
CID 133437157
1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-1-one
CID 133437095
1-(4-ethylpiperazin-1-yl)-2-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]ethanone
CID 133437305
N-[1-(2-nitrophenyl)piperidin-4-yl]ethanesulfonamide
CID 78862241
1-(2-methyl-8-nitroquinolin-4-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133436999
2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133437109
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide (CID 133436623) is N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(c2cc(C)nc3c([N+](=O)[O-])cccc23)CC1.
What is the InChIKey of N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is CUQCWXMXBATGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-11-27(25,26)20-14-7-9-21(10-8-14)17-12-13(2)19-18-15(17)5-4-6-16(18)22(23)24/h4-6,12,14,20H,3,7-11H2,1-2H3.
What are the key properties of N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 133436623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).