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

C11H11FN2O3 — CID 6510077

IUPACmethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
SMILESCOC(=O)N1CC/C(=N/O)c2cc(F)ccc21
InChIInChI=1S/C11H11FN2O3/c1-17-11(15)14-5-4-9(13-16)8-6-7(12)2-3-10(8)14/h2-3,6,16H,4-5H2,1H3/b13-9-
InChIKeyIXZVOELNROZATN-LCYFTJDESA-N
MW238.22 g/mol
LogP1.98
Rot. Bonds

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

methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate (PubChem CID 6510077) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
PubChem CID6510077
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Namemethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
SMILESCOC(=O)N1CC/C(=N/O)c2cc(F)ccc21
InChIInChI=1S/C11H11FN2O3/c1-17-11(15)14-5-4-9(13-16)8-6-7(12)2-3-10(8)14/h2-3,6,16H,4-5H2,1H3/b13-9-
InChIKeyIXZVOELNROZATN-LCYFTJDESA-N
XLogP1.98
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.98
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 methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate (CID 6510077) is methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate is COC(=O)N1CC/C(=N/O)c2cc(F)ccc21.
What is the InChIKey of methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is IXZVOELNROZATN-LCYFTJDESA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-17-11(15)14-5-4-9(13-16)8-6-7(12)2-3-10(8)14/h2-3,6,16H,4-5H2,1H3/b13-9-.
What are the key properties of methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate?
methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 238.22 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 6510077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).