N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride

C15H21ClN4O4S — CID 120712188

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.Cl
InChIInChI=1S/C15H20N4O4S.ClH/c1-15(2,9-16)10-18(3)24(22,23)13-7-6-12(19(20)21)11-5-4-8-17-14(11)13;/h4-8H,9-10,16H2,1-3H3;1H
InChIKeyOVXWCGMNKQMZLP-UHFFFAOYSA-N
MW388.88 g/mol
LogP2.17
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride (PubChem CID 120712188) has the molecular formula C15H21ClN4O4S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride
PubChem CID120712188
Molecular FormulaC15H21ClN4O4S
Molecular Weight388.88 g/mol
Exact Mass388.10
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.Cl
InChIInChI=1S/C15H20N4O4S.ClH/c1-15(2,9-16)10-18(3)24(22,23)13-7-6-12(19(20)21)11-5-4-8-17-14(11)13;/h4-8H,9-10,16H2,1-3H3;1H
InChIKeyOVXWCGMNKQMZLP-UHFFFAOYSA-N
XLogP2.17
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 52.17
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-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N-methyl-5-nitro-N-phenylquinoline-8-sulfonamide
CID 122142980
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119991822
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119991390
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120706702
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
CID 104850488
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide
CID 120706703
N-[2-(methylamino)ethyl]-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120708645
8-(3-chloropropylsulfonyl)-5-nitroquinoline
CID 66126138
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-4-nitrobenzenesulfonamide
CID 79646526

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride (CID 120712188) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride?
The InChIKey is OVXWCGMNKQMZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S.ClH/c1-15(2,9-16)10-18(3)24(22,23)13-7-6-12(19(20)21)11-5-4-8-17-14(11)13;/h4-8H,9-10,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride has a molecular weight of 388.88 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 120712188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).