1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one

C12H13FN2O2 — CID 6510081

IUPAC1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CC/C(=N/O)c2cc(F)ccc21
InChIInChI=1S/C12H13FN2O2/c1-2-12(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-
InChIKeyFEGWEZYQHKCBKL-UVTDQMKNSA-N
MW236.25 g/mol
LogP2.15
Rot. Bonds1

About 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one

1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one (PubChem CID 6510081) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one
PubChem CID6510081
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CC/C(=N/O)c2cc(F)ccc21
InChIInChI=1S/C12H13FN2O2/c1-2-12(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-
InChIKeyFEGWEZYQHKCBKL-UVTDQMKNSA-N
XLogP2.15
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.15
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 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
1-(1,2,3,4-Tetrahydroquinolin-1-yl)ethan-1-one
CID 347850
1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone
CID 2825063
1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
CID 251290
M 12285
CID 6505363
4(1H)-Quinolinone, 1-acetyl-6-chloro-2,3-dihydro-, 4-oxime
CID 6510071
4(1H)-Quinolinone, 6-chloro-2,3-dihydro-1-(1-oxobutyl)-, 4-oxime
CID 6510072
4(1H)-Quinolinone, 6-chloro-2,3-dihydro-1-(1-oxopentyl)-, 4-oxime
CID 6510073
4(1H)-Quinolinone, 6-chloro-2,3-dihydro-1-(3-methyl-1-oxobutyl)-, 4-oxime
CID 6510074
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-bromo-2,3-dihydro-1-(1-oxopropyl)-, 4-oxime
CID 6510082

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one?
The IUPAC name of 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one (CID 6510081) is 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one?
The canonical SMILES for 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one is CCC(=O)N1CC/C(=N/O)c2cc(F)ccc21.
What is the InChIKey of 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one?
The InChIKey is FEGWEZYQHKCBKL-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-12(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 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one?
1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one has a molecular weight of 236.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one is sourced from PubChem (CID 6510081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).