[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C14H17ClN4O4S — CID 120711615

IUPAC[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H16N4O4S.ClH/c15-9-10-3-2-8-17(10)23(21,22)13-6-5-12(18(19)20)11-4-1-7-16-14(11)13;/h1,4-7,10H,2-3,8-9,15H2;1H
InChIKeyMYGOQLXCMDDADW-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.68
Rot. Bonds4

About [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120711615) has the molecular formula C14H17ClN4O4S and a molecular weight of 372.83 g/mol. Its IUPAC name is [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120711615
Molecular FormulaC14H17ClN4O4S
Molecular Weight372.83 g/mol
Exact Mass372.07
IUPAC Name[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H16N4O4S.ClH/c15-9-10-3-2-8-17(10)23(21,22)13-6-5-12(18(19)20)11-4-1-7-16-14(11)13;/h1,4-7,10H,2-3,8-9,15H2;1H
InChIKeyMYGOQLXCMDDADW-UHFFFAOYSA-N
XLogP1.68
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.68
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-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120712067
[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 97165430
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119988696
8-(2-methylpiperazin-1-yl)sulfonyl-5-nitroquinoline;hydrochloride
CID 120708058
[1-(4-bromo-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988924
N-[[1-(5-nitroquinolin-8-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120711965
8-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-5-nitroquinoline
CID 120711745
[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969391
[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 86814097
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120706702
[1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312408
[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988979

Frequently Asked Questions

What is the IUPAC name of [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 120711615) is [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is MYGOQLXCMDDADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S.ClH/c15-9-10-3-2-8-17(10)23(21,22)13-6-5-12(18(19)20)11-4-1-7-16-14(11)13;/h1,4-7,10H,2-3,8-9,15H2;1H.
What are the key properties of [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 372.83 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120711615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).