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

C12H14FN3O2 — CID 6510086

IUPAC(4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
SMILESCN(C)C(=O)N1CC/C(=N/O)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/b14-10-
InChIKeyCNLSVGAHIXRIEE-UVTDQMKNSA-N
MW251.26 g/mol
LogP1.90
Rot. Bonds

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

(4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide (PubChem CID 6510086) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name(4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
PubChem CID6510086
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name(4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
SMILESCN(C)C(=O)N1CC/C(=N/O)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/b14-10-
InChIKeyCNLSVGAHIXRIEE-UVTDQMKNSA-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'}

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Related Compounds

1(2H)-Quinolinecarboxylic acid, 6-fluoro-3,4-dihydro-4-(hydroxyimino)-, methyl ester
CID 6510077
1(2H)-Quinolinecarboxylic acid, 6-fluoro-3,4-dihydro-4-(hydroxyimino)-, ethyl ester
CID 6510080
4(1H)-Quinolinone, 6-fluoro-2,3-dihydro-1-(1-oxopropyl)-, 4-oxime
CID 6510081
1(2H)-Quinolinecarboxamide, 6-bromo-3,4-dihydro-4-(hydroxyimino)-N-methyl-
CID 6510085
1(2H)-Quinolinecarboxamide, 6-chloro-3,4-dihydro-4-(hydroxyimino)-N,N-dimethyl-
CID 6510087
1(2H)-Quinolinecarboxamide, 6-bromo-3,4-dihydro-4-(hydroxyimino)-N,N-dimethyl-
CID 6510088
6-fluoro-2-methyl-N-propyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 3145247
1-Carbamoyl-1,2,3,4-tetrahydroquinoline
CID 4643818
Methyl 6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
CID 3067733
Ethyl 6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
CID 3067736
1-(6-Fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-1-one
CID 3067737
6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
CID 3067742

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide (CID 6510086) is (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide is CN(C)C(=O)N1CC/C(=N/O)c2cc(F)ccc21.
What is the InChIKey of (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is CNLSVGAHIXRIEE-UVTDQMKNSA-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/b14-10-.
What are the key properties of (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
(4Z)-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 (4Z)-6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 6510086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).