sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid

C10H14NNaO3S — CID 173415123

IUPACsodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
SMILESCN1CCCc2ccc(S(=O)(=O)O)cc21.[H-].[Na+]
InChIInChI=1S/C10H13NO3S.Na.H/c1-11-6-2-3-8-4-5-9(7-10(8)11)15(12,13)14;;/h4-5,7H,2-3,6H2,1H3,(H,12,13,14);;/q;+1;-1
InChIKeyWZFIQUZMDGDYEK-UHFFFAOYSA-N
MW251.28 g/mol
LogP-1.57
Rot. Bonds1

About sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid

sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid (PubChem CID 173415123) has the molecular formula C10H14NNaO3S and a molecular weight of 251.28 g/mol. Its IUPAC name is sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
PubChem CID173415123
Molecular FormulaC10H14NNaO3S
Molecular Weight251.28 g/mol
Exact Mass251.06
IUPAC Namesodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
SMILESCN1CCCc2ccc(S(=O)(=O)O)cc21.[H-].[Na+]
InChIInChI=1S/C10H13NO3S.Na.H/c1-11-6-2-3-8-4-5-9(7-10(8)11)15(12,13)14;;/h4-5,7H,2-3,6H2,1H3,(H,12,13,14);;/q;+1;-1
InChIKeyWZFIQUZMDGDYEK-UHFFFAOYSA-N
XLogP-1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 139012528
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
2-chloro-1-methyl-2,3-dihydroindole-6-sulfonic acid;hydrochloride
CID 175331044
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
CID 82411141
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
CID 126784254
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid?
The IUPAC name of sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid (CID 173415123) is sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid.
What is the SMILES notation for sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid?
The canonical SMILES for sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid is CN1CCCc2ccc(S(=O)(=O)O)cc21.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid?
The InChIKey is WZFIQUZMDGDYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S.Na.H/c1-11-6-2-3-8-4-5-9(7-10(8)11)15(12,13)14;;/h4-5,7H,2-3,6H2,1H3,(H,12,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid?
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid has a molecular weight of 251.28 g/mol, XLogP of -1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid is sourced from PubChem (CID 173415123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).