5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide

C14H18N4O4S — CID 120715909

IUPAC5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H18N4O4S/c1-2-7-15-9-10-17-23(21,22)13-6-5-12(18(19)20)11-4-3-8-16-14(11)13/h3-6,8,15,17H,2,7,9-10H2,1H3
InChIKeyZYEHIFKZEQHILC-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.42
Rot. Bonds8

About 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide

5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide (PubChem CID 120715909) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide
PubChem CID120715909
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H18N4O4S/c1-2-7-15-9-10-17-23(21,22)13-6-5-12(18(19)20)11-4-3-8-16-14(11)13/h3-6,8,15,17H,2,7,9-10H2,1H3
InChIKeyZYEHIFKZEQHILC-UHFFFAOYSA-N
XLogP1.42
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120708645
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide
CID 120706703
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120706702
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide
CID 120712483
4-bromo-2-nitro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716331
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613
8-(3-chloropropylsulfonyl)-5-nitroquinoline
CID 66126138
2,3-dimethyl-6-nitro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716435
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N-[[1-(5-nitroquinolin-8-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120711965
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide?
The IUPAC name of 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide (CID 120715909) is 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide is CCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide?
The InChIKey is ZYEHIFKZEQHILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-2-7-15-9-10-17-23(21,22)13-6-5-12(18(19)20)11-4-3-8-16-14(11)13/h3-6,8,15,17H,2,7,9-10H2,1H3.
What are the key properties of 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide?
5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 120715909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).