(1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

C29H43NO2 — CID 67619288

About (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

(1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 67619288) has the molecular formula C29H43NO2 and a molecular weight of 437.67 g/mol. Its IUPAC name is (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

• Compound Name: (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
• PubChem CID: 67619288
• Molecular Formula: C29H43NO2
• Molecular Weight: 437.67 g/mol
• Exact Mass: 437.33
• IUPAC Name: (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
• SMILES: CCC(Cc1ccccc1OC)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
• InChI: InChI=1S/C29H43NO2/c1-5-19(18-20-8-6-7-9-25(20)32-4)22-11-12-23-21-10-13-26-29(3,17-15-27(31)30-26)24(21)14-16-28(22,23)2/h6-9,19,21-24,26H,5,10-18H2,1-4H3,(H,30,31)/t19?,21-,22+,23-,24-,26?,28+,29+/m0/s1
• InChIKey: VZEIGFIBIIFIJQ-WDIFLMPOSA-N
• XLogP: 6.40
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.67
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

The IUPAC name of (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one (CID 67619288) is (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one.

What is the SMILES notation for (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

The canonical SMILES for (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one is CCC(Cc1ccccc1OC)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.

What is the InChIKey of (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

The InChIKey is VZEIGFIBIIFIJQ-WDIFLMPOSA-N. The full InChI is InChI=1S/C29H43NO2/c1-5-19(18-20-8-6-7-9-25(20)32-4)22-11-12-23-21-10-13-26-29(3,17-15-27(31)30-26)24(21)14-16-28(22,23)2/h6-9,19,21-24,26H,5,10-18H2,1-4H3,(H,30,31)/t19?,21-,22+,23-,24-,26?,28+,29+/m0/s1.

What are the key properties of (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?

(1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 437.67 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3aS,3bS,9aR,9bS,11aR)-1-[1-(2-methoxyphenyl)butan-2-yl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67619288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).