(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

C34H44N2O2 — CID 67750567

About (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 67750567) has the molecular formula C34H44N2O2 and a molecular weight of 512.74 g/mol. Its IUPAC name is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 67750567
• Molecular Formula: C34H44N2O2
• Molecular Weight: 512.74 g/mol
• Exact Mass: 512.34
• IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• SMILES: CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(Cc5ccccc5)c5ccccc5)CC[C@H]4[C@@H]3CC[C@@H]12
• InChI: InChI=1S/C34H44N2O2/c1-33-20-18-27-25(14-17-30-34(27,2)21-19-31(37)36(30)3)26(33)15-16-28(33)32(38)35-29(24-12-8-5-9-13-24)22-23-10-6-4-7-11-23/h4-13,25-30H,14-22H2,1-3H3,(H,35,38)/t25-,26-,27-,28+,29?,30+,33-,34+/m0/s1
• InChIKey: QBVMWRQPPDIVJT-RXLRHNKRSA-N
• XLogP: 6.57
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.74
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 67750567) is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

What is the SMILES notation for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(Cc5ccccc5)c5ccccc5)CC[C@H]4[C@@H]3CC[C@@H]12.

What is the InChIKey of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is QBVMWRQPPDIVJT-RXLRHNKRSA-N. The full InChI is InChI=1S/C34H44N2O2/c1-33-20-18-27-25(14-17-30-34(27,2)21-19-31(37)36(30)3)26(33)15-16-28(33)32(38)35-29(24-12-8-5-9-13-24)22-23-10-6-4-7-11-23/h4-13,25-30H,14-22H2,1-3H3,(H,35,38)/t25-,26-,27-,28+,29?,30+,33-,34+/m0/s1.

What are the key properties of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 512.74 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 67750567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).