ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate

C12H13FN2O3 — CID 6510080

IUPACethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
SMILESCCOC(=O)N1CC/C(=N/O)c2cc(F)ccc21
InChIInChI=1S/C12H13FN2O3/c1-2-18-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-
InChIKeyHVADSRDRNLXETI-UVTDQMKNSA-N
MW252.25 g/mol
LogP2.37
Rot. Bonds1

About ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate

ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate (PubChem CID 6510080) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
PubChem CID6510080
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Nameethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
SMILESCCOC(=O)N1CC/C(=N/O)c2cc(F)ccc21
InChIInChI=1S/C12H13FN2O3/c1-2-18-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-
InChIKeyHVADSRDRNLXETI-UVTDQMKNSA-N
XLogP2.37
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate (CID 6510080) is ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate is CCOC(=O)N1CC/C(=N/O)c2cc(F)ccc21.
What is the InChIKey of ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is HVADSRDRNLXETI-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-2-18-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-.
What are the key properties of ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 252.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 6510080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).