ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate

C19H21FN2O4 — CID 134160219

IUPACethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate
SMILESCCOC(=O)C(F)(CCCC(=O)Nc1cccc2cccnc12)C(C)=O
InChIInChI=1S/C19H21FN2O4/c1-3-26-18(25)19(20,13(2)23)11-5-10-16(24)22-15-9-4-7-14-8-6-12-21-17(14)15/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,22,24)
InChIKeyQFAQWURAAVERKK-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.20
Rot. Bonds8

About ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate

ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate (PubChem CID 134160219) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate.

Molecular Properties

Compound Nameethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate
PubChem CID134160219
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Nameethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate
SMILESCCOC(=O)C(F)(CCCC(=O)Nc1cccc2cccnc12)C(C)=O
InChIInChI=1S/C19H21FN2O4/c1-3-26-18(25)19(20,13(2)23)11-5-10-16(24)22-15-9-4-7-14-8-6-12-21-17(14)15/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,22,24)
InChIKeyQFAQWURAAVERKK-UHFFFAOYSA-N
XLogP3.20
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate with MolForge

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

Launch Full Analysis

Related Compounds

N-quinolin-8-ylpropanamide
CID 2963713
2-(4-fluorophenyl)-N-(8-quinolinyl)acetamide
CID 836402
N-(8-quinolinyl)cyclopentanecarboxamide
CID 836584
4-(Quinolin-8-ylcarbamoyl)-butyric acid
CID 695449
2-methylpropyl N-[(2S)-8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-ylamino)octan-2-yl]carbamate
CID 11224171
N-methyl-2-oxo-N'-quinolin-3-ylnonanediamide
CID 44341149
N-quinolin-8-yl-N'-sulfanylheptanediamide
CID 53317827
N-hydroxy-6-(quinolin-8-ylcarbamoylamino)oxyhexanamide
CID 137638037
N-(quinolin-8-yl)cyclohexanecarboxamide
CID 835933
2-(2-fluorophenyl)-N-(8-quinolinyl)acetamide
CID 836535
2-Oxo-2-phenylethyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 2166108
1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate
CID 336092

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate?
The IUPAC name of ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate (CID 134160219) is ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate.
What is the SMILES notation for ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate?
The canonical SMILES for ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate is CCOC(=O)C(F)(CCCC(=O)Nc1cccc2cccnc12)C(C)=O.
What is the InChIKey of ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate?
The InChIKey is QFAQWURAAVERKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-3-26-18(25)19(20,13(2)23)11-5-10-16(24)22-15-9-4-7-14-8-6-12-21-17(14)15/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate?
ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate has a molecular weight of 360.39 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-2-fluoro-6-oxo-6-(quinolin-8-ylamino)hexanoate is sourced from PubChem (CID 134160219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).