N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide

C30H39N3O2 — CID 57101734

About N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide

N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 57101734) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 57101734
• Molecular Formula: C30H39N3O2
• Molecular Weight: 473.66 g/mol
• Exact Mass: 473.30
• IUPAC Name: N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide
• SMILES: CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNC(=O)Cc3c[nH]c4ccccc34)CC[C@@H]12
• InChI: InChI=1S/C30H39N3O2/c1-29-14-12-24-22(9-11-26-30(24,2)15-13-28(35)33(26)3)23(29)10-8-20(29)18-32-27(34)16-19-17-31-25-7-5-4-6-21(19)25/h4-7,13,15,17,20,22-24,26,31H,8-12,14,16,18H2,1-3H3,(H,32,34)/t20?,22-,23-,24+,26?,29+,30+/m0/s1
• InChIKey: GYDGDERRCFIZNU-ZLFVOHBKSA-N
• XLogP: 5.08
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.66
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide (CID 57101734) is N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide.

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

The canonical SMILES for N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide is CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNC(=O)Cc3c[nH]c4ccccc34)CC[C@@H]12.

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

The InChIKey is GYDGDERRCFIZNU-ZLFVOHBKSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-29-14-12-24-22(9-11-26-30(24,2)15-13-28(35)33(26)3)23(29)10-8-20(29)18-32-27(34)16-19-17-31-25-7-5-4-6-21(19)25/h4-7,13,15,17,20,22-24,26,31H,8-12,14,16,18H2,1-3H3,(H,32,34)/t20?,22-,23-,24+,26?,29+,30+/m0/s1.

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

N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 473.66 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 57101734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).