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

C27H38N2O2 — CID 67718849

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

(1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 67718849) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is (1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-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,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 67718849
• Molecular Formula: C27H38N2O2
• Molecular Weight: 422.61 g/mol
• Exact Mass: 422.29
• IUPAC Name: (1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• SMILES: C[C@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4ccccc4)CC[C@H]3[C@H]12
• InChI: InChI=1S/C27H38N2O2/c1-17-16-22-27(3,15-13-23(30)29(22)4)20-12-14-26(2)19(24(17)20)10-11-21(26)25(31)28-18-8-6-5-7-9-18/h5-9,17,19-22,24H,10-16H2,1-4H3,(H,28,31)/t17-,19-,20-,21+,22+,24-,26-,27+/m0/s1
• InChIKey: ZCXDBQUTXBABEP-XTOFFLIYSA-N
• XLogP: 5.35
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.61
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-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,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 67718849) is (1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-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,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-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,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is C[C@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4ccccc4)CC[C@H]3[C@H]12.

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

The InChIKey is ZCXDBQUTXBABEP-XTOFFLIYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-17-16-22-27(3,15-13-23(30)29(22)4)20-12-14-26(2)19(24(17)20)10-11-21(26)25(31)28-18-8-6-5-7-9-18/h5-9,17,19-22,24H,10-16H2,1-4H3,(H,28,31)/t17-,19-,20-,21+,22+,24-,26-,27+/m0/s1.

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

(1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-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 422.61 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,6,9a,11a-tetramethyl-7-oxo-N-phenyl-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 67718849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).