sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid

C20H16NNaO4S — CID 173321253

IUPACsodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ccc(OCc3ccc4ccccc4n3)cc12.[H-].[Na+]
InChIInChI=1S/C20H15NO4S.Na.H/c22-26(23,24)20-7-3-5-14-9-11-17(12-18(14)20)25-13-16-10-8-15-4-1-2-6-19(15)21-16;;/h1-12H,13H2,(H,22,23,24);;/q;+1;-1
InChIKeyKSNJTSRYCADATN-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.33
Rot. Bonds4

About sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid

sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid (PubChem CID 173321253) has the molecular formula C20H16NNaO4S and a molecular weight of 389.41 g/mol. Its IUPAC name is sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid
PubChem CID173321253
Molecular FormulaC20H16NNaO4S
Molecular Weight389.41 g/mol
Exact Mass389.07
IUPAC Namesodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2ccc(OCc3ccc4ccccc4n3)cc12.[H-].[Na+]
InChIInChI=1S/C20H15NO4S.Na.H/c22-26(23,24)20-7-3-5-14-9-11-17(12-18(14)20)25-13-16-10-8-15-4-1-2-6-19(15)21-16;;/h1-12H,13H2,(H,22,23,24);;/q;+1;-1
InChIKeyKSNJTSRYCADATN-UHFFFAOYSA-N
XLogP1.33
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
methanesulfonic acid;[3-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]methanol
CID 86743875
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid?
The IUPAC name of sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid (CID 173321253) is sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid?
The canonical SMILES for sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid is O=S(=O)(O)c1cccc2ccc(OCc3ccc4ccccc4n3)cc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid?
The InChIKey is KSNJTSRYCADATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S.Na.H/c22-26(23,24)20-7-3-5-14-9-11-17(12-18(14)20)25-13-16-10-8-15-4-1-2-6-19(15)21-16;;/h1-12H,13H2,(H,22,23,24);;/q;+1;-1.
What are the key properties of sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid?
sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid has a molecular weight of 389.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid is sourced from PubChem (CID 173321253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).