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

C22H21NO2 — CID 134961965

IUPACethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate
SMILESCCOC(=O)c1nc2ccccc2c2c1[C@H](C)[C@H](c1ccccc1)C2
InChIInChI=1S/C22H21NO2/c1-3-25-22(24)21-20-14(2)17(15-9-5-4-6-10-15)13-18(20)16-11-7-8-12-19(16)23-21/h4-12,14,17H,3,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyIHHBGGVOLODJJG-RHSMWYFYSA-N
MW331.42 g/mol
LogP4.85
Rot. Bonds3

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

ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate (PubChem CID 134961965) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate
PubChem CID134961965
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Nameethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate
SMILESCCOC(=O)c1nc2ccccc2c2c1[C@H](C)[C@H](c1ccccc1)C2
InChIInChI=1S/C22H21NO2/c1-3-25-22(24)21-20-14(2)17(15-9-5-4-6-10-15)13-18(20)16-11-7-8-12-19(16)23-21/h4-12,14,17H,3,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyIHHBGGVOLODJJG-RHSMWYFYSA-N
XLogP4.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
The IUPAC name of ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate (CID 134961965) is ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
The canonical SMILES for ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate is CCOC(=O)c1nc2ccccc2c2c1[C@H](C)[C@H](c1ccccc1)C2.
What is the InChIKey of ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
The InChIKey is IHHBGGVOLODJJG-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-3-25-22(24)21-20-14(2)17(15-9-5-4-6-10-15)13-18(20)16-11-7-8-12-19(16)23-21/h4-12,14,17H,3,13H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate?
ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-methyl-2-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate is sourced from PubChem (CID 134961965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).