[2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C28H18ClF2NO3 — CID 4683209

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1c(F)cccc1Cl)CC2)c1ccc(F)cc1
InChIInChI=1S/C28H18ClF2NO3/c29-22-5-3-6-23(31)21(22)14-17-10-13-20-26(19-4-1-2-7-24(19)32-27(17)20)28(34)35-15-25(33)16-8-11-18(30)12-9-16/h1-9,11-12,14H,10,13,15H2
InChIKeyMEQUQNMADHVDSP-UHFFFAOYSA-N
MW489.91 g/mol
LogP6.69
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 4683209) has the molecular formula C28H18ClF2NO3 and a molecular weight of 489.91 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
PubChem CID4683209
Molecular FormulaC28H18ClF2NO3
Molecular Weight489.91 g/mol
Exact Mass489.09
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1c(F)cccc1Cl)CC2)c1ccc(F)cc1
InChIInChI=1S/C28H18ClF2NO3/c29-22-5-3-6-23(31)21(22)14-17-10-13-20-26(19-4-1-2-7-24(19)32-27(17)20)28(34)35-15-25(33)16-8-11-18(30)12-9-16/h1-9,11-12,14H,10,13,15H2
InChIKeyMEQUQNMADHVDSP-UHFFFAOYSA-N
XLogP6.69
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.91
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate 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

3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 71898615
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3566415
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6288483
diethyl 5-[[2-[4-[(2-chloro-6-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 71953654
2-oxopropyl (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8661945
(2-chloro-6-fluorophenyl)methyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3670685
(4-fluorophenyl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 7855219
(2-chloro-6-fluorophenyl)methyl 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 4022315
[2-(azepan-1-yl)-2-oxoethyl] 3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 4679943
[2-(carbamoylamino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6213343
cyanomethyl (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8661944
[2-oxo-2-(4-phenylphenyl)ethyl] (4E)-4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 135580258

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 4683209) is [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1c(F)cccc1Cl)CC2)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
The InChIKey is MEQUQNMADHVDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClF2NO3/c29-22-5-3-6-23(31)21(22)14-17-10-13-20-26(19-4-1-2-7-24(19)32-27(17)20)28(34)35-15-25(33)16-8-11-18(30)12-9-16/h1-9,11-12,14H,10,13,15H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 489.91 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 4683209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).