2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide

C27H34N4O2 — CID 11374251

IUPAC2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide
SMILESCN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(=O)Nc4ccc(C#N)nc4)C3CCC12
InChIInChI=1S/C27H34N4O2/c1-26-12-10-22-20(7-9-23-27(22,2)13-11-25(33)31(23)3)21(26)8-4-17(26)14-24(32)30-19-6-5-18(15-28)29-16-19/h5-6,11,13,16-17,20-23H,4,7-10,12,14H2,1-3H3,(H,30,32)/t17-,20?,21?,22?,23?,26-,27-/m1/s1
InChIKeyOPOFKUCHWDVWJL-YRDFCNFRSA-N
MW446.60 g/mol
LogP4.54
Rot. Bonds3

About 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide

2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide (PubChem CID 11374251) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide
PubChem CID11374251
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide
SMILESCN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(=O)Nc4ccc(C#N)nc4)C3CCC12
InChIInChI=1S/C27H34N4O2/c1-26-12-10-22-20(7-9-23-27(22,2)13-11-25(33)31(23)3)21(26)8-4-17(26)14-24(32)30-19-6-5-18(15-28)29-16-19/h5-6,11,13,16-17,20-23H,4,7-10,12,14H2,1-3H3,(H,30,32)/t17-,20?,21?,22?,23?,26-,27-/m1/s1
InChIKeyOPOFKUCHWDVWJL-YRDFCNFRSA-N
XLogP4.54
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide?
The IUPAC name of 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide (CID 11374251) is 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide is CN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(=O)Nc4ccc(C#N)nc4)C3CCC12.
What is the InChIKey of 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide?
The InChIKey is OPOFKUCHWDVWJL-YRDFCNFRSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-26-12-10-22-20(7-9-23-27(22,2)13-11-25(33)31(23)3)21(26)8-4-17(26)14-24(32)30-19-6-5-18(15-28)29-16-19/h5-6,11,13,16-17,20-23H,4,7-10,12,14H2,1-3H3,(H,30,32)/t17-,20?,21?,22?,23?,26-,27-/m1/s1.
What are the key properties of 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide?
2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide has a molecular weight of 446.60 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,9aR,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-cyano-3-pyridinyl)acetamide is sourced from PubChem (CID 11374251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).