sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate

C10H7FNNaO3 — CID 126796897

IUPACsodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
SMILESO=C([O-])C1Cc2cc(F)ccc2NC1=O.[Na+]
InChIInChI=1S/C10H8FNO3.Na/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(13)12-8;/h1-3,7H,4H2,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyQZYGQKHLJZQURQ-UHFFFAOYSA-M
MW231.16 g/mol
LogP-3.31
Rot. Bonds1

About sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate

sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate (PubChem CID 126796897) has the molecular formula C10H7FNNaO3 and a molecular weight of 231.16 g/mol. Its IUPAC name is sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namesodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
PubChem CID126796897
Molecular FormulaC10H7FNNaO3
Molecular Weight231.16 g/mol
Exact Mass231.03
IUPAC Namesodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
SMILESO=C([O-])C1Cc2cc(F)ccc2NC1=O.[Na+]
InChIInChI=1S/C10H8FNO3.Na/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(13)12-8;/h1-3,7H,4H2,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyQZYGQKHLJZQURQ-UHFFFAOYSA-M
XLogP-3.31
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate
CID 175054373
7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 123421201
2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553163
7-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553170
3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 10609540
3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89195382
3-(3-bromopropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 150552206
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604
(3S)-4-acetyl-3-[(2S)-butan-2-yl]-7-fluoro-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163292781

Frequently Asked Questions

What is the IUPAC name of sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
The IUPAC name of sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate (CID 126796897) is sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
The canonical SMILES for sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate is O=C([O-])C1Cc2cc(F)ccc2NC1=O.[Na+].
What is the InChIKey of sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
The InChIKey is QZYGQKHLJZQURQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8FNO3.Na/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(13)12-8;/h1-3,7H,4H2,(H,12,13)(H,14,15);/q;+1/p-1.
What are the key properties of sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate has a molecular weight of 231.16 g/mol, XLogP of -3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 126796897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).