2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide

C26H35N3O2 — CID 67675875

IUPAC2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccncc1)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C26H35N3O2/c1-16(24(31)28-17-10-14-27-15-11-17)19-5-6-20-18-4-7-22-26(3,13-9-23(30)29-22)21(18)8-12-25(19,20)2/h9-11,13-16,18-22H,4-8,12H2,1-3H3,(H,29,30)(H,27,28,31)/t16?,18-,19+,20-,21-,22?,25+,26+/m0/s1
InChIKeyQQFHEMMGZDMPLU-CVFBFKRMSA-N
MW421.59 g/mol
LogP4.57
Rot. Bonds3

About 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide

2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide (PubChem CID 67675875) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
PubChem CID67675875
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccncc1)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C26H35N3O2/c1-16(24(31)28-17-10-14-27-15-11-17)19-5-6-20-18-4-7-22-26(3,13-9-23(30)29-22)21(18)8-12-25(19,20)2/h9-11,13-16,18-22H,4-8,12H2,1-3H3,(H,29,30)(H,27,28,31)/t16?,18-,19+,20-,21-,22?,25+,26+/m0/s1
InChIKeyQQFHEMMGZDMPLU-CVFBFKRMSA-N
XLogP4.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide 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 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide (CID 67675875) is 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide is CC(C(=O)Nc1ccncc1)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is QQFHEMMGZDMPLU-CVFBFKRMSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-16(24(31)28-17-10-14-27-15-11-17)19-5-6-20-18-4-7-22-26(3,13-9-23(30)29-22)21(18)8-12-25(19,20)2/h9-11,13-16,18-22H,4-8,12H2,1-3H3,(H,29,30)(H,27,28,31)/t16?,18-,19+,20-,21-,22?,25+,26+/m0/s1.
What are the key properties of 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 421.59 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 67675875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).