6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide

C12H14FN3O2 — CID 3067742

IUPAC6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
SMILESCN(C)C(=O)N1CCC(=NO)c2cc(F)ccc21
InChIInChI=1S/C12H14FN3O2/c1-15(2)12(17)16-6-5-10(14-18)9-7-8(13)3-4-11(9)16/h3-4,7,18H,5-6H2,1-2H3
InChIKeyCNLSVGAHIXRIEE-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.90
Rot. Bonds

About 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide

6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide (PubChem CID 3067742) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
PubChem CID3067742
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
SMILESCN(C)C(=O)N1CCC(=NO)c2cc(F)ccc21
InChIInChI=1S/C12H14FN3O2/c1-15(2)12(17)16-6-5-10(14-18)9-7-8(13)3-4-11(9)16/h3-4,7,18H,5-6H2,1-2H3
InChIKeyCNLSVGAHIXRIEE-UHFFFAOYSA-N
XLogP1.90
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide (CID 3067742) is 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide is CN(C)C(=O)N1CCC(=NO)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is CNLSVGAHIXRIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-15(2)12(17)16-6-5-10(14-18)9-7-8(13)3-4-11(9)16/h3-4,7,18H,5-6H2,1-2H3.
What are the key properties of 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 3067742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).