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

C29H41N3O2 — CID 68876996

IUPAC2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide
SMILESCCc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H]4CC(C)=C5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)n1
InChIInChI=1S/C29H41N3O2/c1-6-20-8-7-9-24(30-20)31-25(33)17-19-10-11-22-21-16-18(2)27-29(4,15-13-26(34)32(27)5)23(21)12-14-28(19,22)3/h7-9,19,21-23H,6,10-17H2,1-5H3,(H,30,31,33)/t19-,21+,22+,23+,28-,29-/m1/s1
InChIKeyRHWYJHNRSPRVFL-CZQWRLBMSA-N
MW463.67 g/mol
LogP5.97
Rot. Bonds4

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

2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide (PubChem CID 68876996) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide
PubChem CID68876996
Molecular FormulaC29H41N3O2
Molecular Weight463.67 g/mol
Exact Mass463.32
IUPAC Name2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide
SMILESCCc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H]4CC(C)=C5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)n1
InChIInChI=1S/C29H41N3O2/c1-6-20-8-7-9-24(30-20)31-25(33)17-19-10-11-22-21-16-18(2)27-29(4,15-13-26(34)32(27)5)23(21)12-14-28(19,22)3/h7-9,19,21-23H,6,10-17H2,1-5H3,(H,30,31,33)/t19-,21+,22+,23+,28-,29-/m1/s1
InChIKeyRHWYJHNRSPRVFL-CZQWRLBMSA-N
XLogP5.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide
CID 68873940
2-(5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 71101089
2-(5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl)-N-(2-methyl-4-pyridinyl)acetamide
CID 71101111
2-[(1R,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 59728834
2-[(1R,3aS,9aR,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(3-bromo-2-methyl-4-pyridinyl)acetamide
CID 11562764
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-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]-N-(6-ethyl-2-pyridinyl)acetamide
CID 68668750
2-[(1R,3aS,3bS,9aR,9bS,11aR)-5-chloro-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 68875335
2-[(1R,3aS,3bS,9aR,9bS,11aR)-5-chloro-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1H-benzimidazol-2-yl)acetamide
CID 68872666
(1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69051658
(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69056220
(3aS,3bS,9aR,9bR,11aS)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69056219
2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 59728846

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide (CID 68876996) is 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide is CCc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H]4CC(C)=C5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)n1.
What is the InChIKey of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide?
The InChIKey is RHWYJHNRSPRVFL-CZQWRLBMSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-6-20-8-7-9-24(30-20)31-25(33)17-19-10-11-22-21-16-18(2)27-29(4,15-13-26(34)32(27)5)23(21)12-14-28(19,22)3/h7-9,19,21-23H,6,10-17H2,1-5H3,(H,30,31,33)/t19-,21+,22+,23+,28-,29-/m1/s1.
What are the key properties of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide?
2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide has a molecular weight of 463.67 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-ethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 68876996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).