ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate

C26H27FN2O4 — CID 46319079

IUPACethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cc(OCC)c3c2)CC1
InChIInChI=1S/C26H27FN2O4/c1-3-32-24-16-23(17-5-8-20(27)9-6-17)28-22-10-7-19(15-21(22)24)25(30)29-13-11-18(12-14-29)26(31)33-4-2/h5-10,15-16,18H,3-4,11-14H2,1-2H3
InChIKeyJXVLIDKIQDGUCX-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.85
Rot. Bonds6

About ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate

ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate (PubChem CID 46319079) has the molecular formula C26H27FN2O4 and a molecular weight of 450.51 g/mol. Its IUPAC name is ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
PubChem CID46319079
Molecular FormulaC26H27FN2O4
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC Nameethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cc(OCC)c3c2)CC1
InChIInChI=1S/C26H27FN2O4/c1-3-32-24-16-23(17-5-8-20(27)9-6-17)28-22-10-7-19(15-21(22)24)25(30)29-13-11-18(12-14-29)26(31)33-4-2/h5-10,15-16,18H,3-4,11-14H2,1-2H3
InChIKeyJXVLIDKIQDGUCX-UHFFFAOYSA-N
XLogP4.85
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-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

[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46319075
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
ethyl 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-4-carboxylate
CID 50828615
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]methanone
CID 46319099
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
CID 46318969
ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 46318971
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate (CID 46319079) is ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cc(OCC)c3c2)CC1.
What is the InChIKey of ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate?
The InChIKey is JXVLIDKIQDGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4/c1-3-32-24-16-23(17-5-8-20(27)9-6-17)28-22-10-7-19(15-21(22)24)25(30)29-13-11-18(12-14-29)26(31)33-4-2/h5-10,15-16,18H,3-4,11-14H2,1-2H3.
What are the key properties of ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate?
ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate has a molecular weight of 450.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 46319079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).