sodium;hydride;6-methoxyquinoline-4-carboxylic acid

C11H10NNaO3 — CID 173088597

IUPACsodium;hydride;6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nccc(C(=O)O)c2c1.[H-].[Na+]
InChIInChI=1S/C11H9NO3.Na.H/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10;;/h2-6H,1H3,(H,13,14);;/q;+1;-1
InChIKeyPNFZNUHEOZIOCB-UHFFFAOYSA-N
MW227.20 g/mol
LogP-0.94
Rot. Bonds2

About sodium;hydride;6-methoxyquinoline-4-carboxylic acid

sodium;hydride;6-methoxyquinoline-4-carboxylic acid (PubChem CID 173088597) has the molecular formula C11H10NNaO3 and a molecular weight of 227.20 g/mol. Its IUPAC name is sodium;hydride;6-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;6-methoxyquinoline-4-carboxylic acid
PubChem CID173088597
Molecular FormulaC11H10NNaO3
Molecular Weight227.20 g/mol
Exact Mass227.06
IUPAC Namesodium;hydride;6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nccc(C(=O)O)c2c1.[H-].[Na+]
InChIInChI=1S/C11H9NO3.Na.H/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10;;/h2-6H,1H3,(H,13,14);;/q;+1;-1
InChIKeyPNFZNUHEOZIOCB-UHFFFAOYSA-N
XLogP-0.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
2-(6-methoxyquinolin-4-yl)prop-2-enal
CID 135363147
8-hydroxy-6-methoxyquinoline-4-carboxylic acid
CID 174995334
6-methoxy-8-methylquinoline-4-carboxylic acid
CID 83640648
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
6-(2-chlorophenoxy)quinoline-4-carboxylic acid
CID 102941682
6-ethylquinoline-4-carboxylic acid
CID 83527113
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
6-methoxyquinoline-4-sulfonic acid
CID 119093175
6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carboxylic acid
CID 165399886
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;6-methoxyquinoline-4-carboxylic acid?
The IUPAC name of sodium;hydride;6-methoxyquinoline-4-carboxylic acid (CID 173088597) is sodium;hydride;6-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for sodium;hydride;6-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for sodium;hydride;6-methoxyquinoline-4-carboxylic acid is COc1ccc2nccc(C(=O)O)c2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;6-methoxyquinoline-4-carboxylic acid?
The InChIKey is PNFZNUHEOZIOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3.Na.H/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10;;/h2-6H,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;6-methoxyquinoline-4-carboxylic acid?
sodium;hydride;6-methoxyquinoline-4-carboxylic acid has a molecular weight of 227.20 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;6-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 173088597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).