cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C28H29NO3 — CID 1360219

About cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 1360219) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• PubChem CID: 1360219
• Molecular Formula: C28H29NO3
• Molecular Weight: 427.54 g/mol
• Exact Mass: 427.21
• IUPAC Name: cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• SMILES: CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1
• InChI: InChI=1S/C28H29NO3/c1-18-25(28(31)32-22-14-8-9-15-22)26(20-12-6-3-7-13-20)27-23(29-18)16-21(17-24(27)30)19-10-4-2-5-11-19/h2-7,10-13,21-22,26,29H,8-9,14-17H2,1H3/t21-,26-/m1/s1
• InChIKey: JEBIZTUAMZAJHH-QFQXNSOFSA-N
• XLogP: 5.53
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.54
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The IUPAC name of cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 1360219) is cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

What is the SMILES notation for cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The canonical SMILES for cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1.

What is the InChIKey of cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The InChIKey is JEBIZTUAMZAJHH-QFQXNSOFSA-N. The full InChI is InChI=1S/C28H29NO3/c1-18-25(28(31)32-22-14-8-9-15-22)26(20-12-6-3-7-13-20)27-23(29-18)16-21(17-24(27)30)19-10-4-2-5-11-19/h2-7,10-13,21-22,26,29H,8-9,14-17H2,1H3/t21-,26-/m1/s1.

What are the key properties of cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 427.54 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 1360219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).