benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate

C26H21NO2 — CID 134961963

IUPACbenzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2ccccc2c2c1C[C@H](c1ccccc1)C2
InChIInChI=1S/C26H21NO2/c28-26(29-17-18-9-3-1-4-10-18)25-23-16-20(19-11-5-2-6-12-19)15-22(23)21-13-7-8-14-24(21)27-25/h1-14,20H,15-17H2/t20-/m1/s1
InChIKeyQNYDFUAFMIBAHT-HXUWFJFHSA-N
MW379.46 g/mol
LogP5.47
Rot. Bonds4

About benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate

benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate (PubChem CID 134961963) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate
PubChem CID134961963
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Namebenzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2ccccc2c2c1C[C@H](c1ccccc1)C2
InChIInChI=1S/C26H21NO2/c28-26(29-17-18-9-3-1-4-10-18)25-23-16-20(19-11-5-2-6-12-19)15-22(23)21-13-7-8-14-24(21)27-25/h1-14,20H,15-17H2/t20-/m1/s1
InChIKeyQNYDFUAFMIBAHT-HXUWFJFHSA-N
XLogP5.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
The IUPAC name of benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate (CID 134961963) is benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate.
What is the SMILES notation for benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
The canonical SMILES for benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate is O=C(OCc1ccccc1)c1nc2ccccc2c2c1C[C@H](c1ccccc1)C2.
What is the InChIKey of benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
The InChIKey is QNYDFUAFMIBAHT-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H21NO2/c28-26(29-17-18-9-3-1-4-10-18)25-23-16-20(19-11-5-2-6-12-19)15-22(23)21-13-7-8-14-24(21)27-25/h1-14,20H,15-17H2/t20-/m1/s1.
What are the key properties of benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate is sourced from PubChem (CID 134961963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).