2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C21H19NO3 — CID 2652516

IUPAC2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OCCOc1ccccc1)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C21H19NO3/c23-21(25-14-13-24-15-7-2-1-3-8-15)20-16-9-4-5-11-18(16)22-19-12-6-10-17(19)20/h1-5,7-9,11H,6,10,12-14H2
InChIKeyPCDJVDRVAYVMFK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.96
Rot. Bonds5

About 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 2652516) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID2652516
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OCCOc1ccccc1)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C21H19NO3/c23-21(25-14-13-24-15-7-2-1-3-8-15)20-16-9-4-5-11-18(16)22-19-12-6-10-17(19)20/h1-5,7-9,11H,6,10,12-14H2
InChIKeyPCDJVDRVAYVMFK-UHFFFAOYSA-N
XLogP3.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 2652516) is 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is O=C(OCCOc1ccccc1)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is PCDJVDRVAYVMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-21(25-14-13-24-15-7-2-1-3-8-15)20-16-9-4-5-11-18(16)22-19-12-6-10-17(19)20/h1-5,7-9,11H,6,10,12-14H2.
What are the key properties of 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 2652516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).