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

C26H42N2O2 — CID 10409568

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

N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide (PubChem CID 10409568) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide.

Molecular Properties

• Compound Name: N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide
• PubChem CID: 10409568
• Molecular Formula: C26H42N2O2
• Molecular Weight: 414.63 g/mol
• Exact Mass: 414.32
• IUPAC Name: N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide
• SMILES: CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)C5CCCCC5)CC[C@H]4[C@@H]3CC[C@@H]12
• InChI: InChI=1S/C26H42N2O2/c1-25-16-14-24(30)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)28(17-29)18-7-5-4-6-8-18/h17-23H,4-16H2,1-3H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1
• InChIKey: GWOHHTZQGRQPDS-LMZXXRHXSA-N
• XLogP: 5.01
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.63
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide (CID 10409568) is N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide.

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

The canonical SMILES for N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide is CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)C5CCCCC5)CC[C@H]4[C@@H]3CC[C@@H]12.

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

The InChIKey is GWOHHTZQGRQPDS-LMZXXRHXSA-N. The full InChI is InChI=1S/C26H42N2O2/c1-25-16-14-24(30)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)28(17-29)18-7-5-4-6-8-18/h17-23H,4-16H2,1-3H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1.

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

N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide has a molecular weight of 414.63 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexylformamide is sourced from PubChem (CID 10409568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).