2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide

C27H35ClN2O2 — CID 90967075

About 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide

2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide (PubChem CID 90967075) has the molecular formula C27H35ClN2O2 and a molecular weight of 455.04 g/mol. Its IUPAC name is 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide.

Molecular Properties

• Compound Name: 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide
• PubChem CID: 90967075
• Molecular Formula: C27H35ClN2O2
• Molecular Weight: 455.04 g/mol
• Exact Mass: 454.24
• IUPAC Name: 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide
• SMILES: CC(C(N)=O)(c1ccccc1Cl)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
• InChI: InChI=1S/C27H35ClN2O2/c1-25-14-6-8-18(25)17-10-11-22-26(2,19(17)12-15-25)16-13-23(31)30(22)27(3,24(29)32)20-7-4-5-9-21(20)28/h4-5,7,9,13,16-19,22H,6,8,10-12,14-15H2,1-3H3,(H2,29,32)/t17-,18-,19+,22?,25-,26+,27?/m0/s1
• InChIKey: UXJNOWMYJQQCCN-DJOVPKQESA-N
• XLogP: 5.44
• TPSA: 63.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.04
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide (CID 90967075) is 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide.

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

The canonical SMILES for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide is CC(C(N)=O)(c1ccccc1Cl)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12.

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

The InChIKey is UXJNOWMYJQQCCN-DJOVPKQESA-N. The full InChI is InChI=1S/C27H35ClN2O2/c1-25-14-6-8-18(25)17-10-11-22-26(2,19(17)12-15-25)16-13-23(31)30(22)27(3,24(29)32)20-7-4-5-9-21(20)28/h4-5,7,9,13,16-19,22H,6,8,10-12,14-15H2,1-3H3,(H2,29,32)/t17-,18-,19+,22?,25-,26+,27?/m0/s1.

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

2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide has a molecular weight of 455.04 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide is sourced from PubChem (CID 90967075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).