N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide

C21H34N2O2 — CID 118718306

IUPACN-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C21H34N2O2/c1-13(24)22-17-7-6-15-14-5-8-18-21(3,12-10-19(25)23(18)4)16(14)9-11-20(15,17)2/h14-18H,5-12H2,1-4H3,(H,22,24)/t14-,15-,16-,17+,18?,20-,21+/m0/s1
InChIKeyRXWSIYXODMULPM-MPBNOASSSA-N
MW346.52 g/mol
LogP3.35
Rot. Bonds1

About N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide

N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide (PubChem CID 118718306) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
PubChem CID118718306
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C21H34N2O2/c1-13(24)22-17-7-6-15-14-5-8-18-21(3,12-10-19(25)23(18)4)16(14)9-11-20(15,17)2/h14-18H,5-12H2,1-4H3,(H,22,24)/t14-,15-,16-,17+,18?,20-,21+/m0/s1
InChIKeyRXWSIYXODMULPM-MPBNOASSSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide with MolForge

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Related Compounds

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CID 9864387
(1R,4S,9aR,11aR)-4,6,9a,11a-tetramethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44275145
N-[(1S,5aR,9aR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pentylformamide
CID 10318958
(1S,9aR,11aS)-9a,11a-dimethyl-N-octyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44354204
(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-octyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 118718162
4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid amide
CID 118718175
1,4,4a,6a-Tetramethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid diethylamide
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4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
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(4S,9aR,11aR)-4-ethyl-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44350228
(4S,9aR,11aR)-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-4-propyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44350239

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
The IUPAC name of N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide (CID 118718306) is N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide.
What is the SMILES notation for N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
The canonical SMILES for N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide is CC(=O)N[C@@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
The InChIKey is RXWSIYXODMULPM-MPBNOASSSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-13(24)22-17-7-6-15-14-5-8-18-21(3,12-10-19(25)23(18)4)16(14)9-11-20(15,17)2/h14-18H,5-12H2,1-4H3,(H,22,24)/t14-,15-,16-,17+,18?,20-,21+/m0/s1.
What are the key properties of N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide has a molecular weight of 346.52 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide is sourced from PubChem (CID 118718306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).