(3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

C24H39NO — CID 67632928

IUPAC(3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCCCCCC1(C)CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@@H]21
InChIInChI=1S/C24H39NO/c1-5-6-7-12-23(3)16-19-24(4,15-11-20(26)25-19)18-10-14-22(2)13-8-9-17(22)21(18)23/h11,15,17-19,21H,5-10,12-14,16H2,1-4H3,(H,25,26)/t17-,18+,19?,21-,22-,23?,24+/m0/s1
InChIKeyOYSVYORCLKRGQG-TXMPVTPISA-N
MW357.58 g/mol
LogP5.87
Rot. Bonds4

About (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

(3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 67632928) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID67632928
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCCCCCC1(C)CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@@H]21
InChIInChI=1S/C24H39NO/c1-5-6-7-12-23(3)16-19-24(4,15-11-20(26)25-19)18-10-14-22(2)13-8-9-17(22)21(18)23/h11,15,17-19,21H,5-10,12-14,16H2,1-4H3,(H,25,26)/t17-,18+,19?,21-,22-,23?,24+/m0/s1
InChIKeyOYSVYORCLKRGQG-TXMPVTPISA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (CID 67632928) is (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is CCCCCC1(C)CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@@H]21.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is OYSVYORCLKRGQG-TXMPVTPISA-N. The full InChI is InChI=1S/C24H39NO/c1-5-6-7-12-23(3)16-19-24(4,15-11-20(26)25-19)18-10-14-22(2)13-8-9-17(22)21(18)23/h11,15,17-19,21H,5-10,12-14,16H2,1-4H3,(H,25,26)/t17-,18+,19?,21-,22-,23?,24+/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
(3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one has a molecular weight of 357.58 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-4,9a,11a-trimethyl-4-pentyl-2,3,3a,3b,5,5a,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67632928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).