2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C21H18ClNO3 — CID 5021618

IUPAC2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OCCOc1ccc(Cl)cc1)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C21H18ClNO3/c22-14-8-10-15(11-9-14)25-12-13-26-21(24)20-16-4-1-2-6-18(16)23-19-7-3-5-17(19)20/h1-2,4,6,8-11H,3,5,7,12-13H2
InChIKeyXEQPSGAHDZDZMW-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.61
Rot. Bonds5

About 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 5021618) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID5021618
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OCCOc1ccc(Cl)cc1)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C21H18ClNO3/c22-14-8-10-15(11-9-14)25-12-13-26-21(24)20-16-4-1-2-6-18(16)23-19-7-3-5-17(19)20/h1-2,4,6,8-11H,3,5,7,12-13H2
InChIKeyXEQPSGAHDZDZMW-UHFFFAOYSA-N
XLogP4.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036
3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7276947
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905
[2-(4-chloroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2463707
[2-(4-chloroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335128
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 75401713
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599857
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839820
2-(4-methoxyphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3658736
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789135

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 5021618) is 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is O=C(OCCOc1ccc(Cl)cc1)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is XEQPSGAHDZDZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c22-14-8-10-15(11-9-14)25-12-13-26-21(24)20-16-4-1-2-6-18(16)23-19-7-3-5-17(19)20/h1-2,4,6,8-11H,3,5,7,12-13H2.
What are the key properties of 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 367.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 5021618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).