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

C28H39N3O2 — CID 71101111

IUPAC2-(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
SMILESCC1=C2N(C)C(=O)CCC2(C)C2CCC3(C)C(CC(=O)Nc4ccnc(C)c4)CCC3C2C1
InChIInChI=1S/C28H39N3O2/c1-17-14-21-22-7-6-19(16-24(32)30-20-10-13-29-18(2)15-20)27(22,3)11-8-23(21)28(4)12-9-25(33)31(5)26(17)28/h10,13,15,19,21-23H,6-9,11-12,14,16H2,1-5H3,(H,29,30,32)
InChIKeyLZUGVEBJAICNIY-UHFFFAOYSA-N
MW449.64 g/mol
LogP5.71
Rot. Bonds3

About 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

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 (PubChem CID 71101111) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID71101111
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name2-(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
SMILESCC1=C2N(C)C(=O)CCC2(C)C2CCC3(C)C(CC(=O)Nc4ccnc(C)c4)CCC3C2C1
InChIInChI=1S/C28H39N3O2/c1-17-14-21-22-7-6-19(16-24(32)30-20-10-13-29-18(2)15-20)27(22,3)11-8-23(21)28(4)12-9-25(33)31(5)26(17)28/h10,13,15,19,21-23H,6-9,11-12,14,16H2,1-5H3,(H,29,30,32)
InChIKeyLZUGVEBJAICNIY-UHFFFAOYSA-N
XLogP5.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C2N(C)C(=O)CCC2(C)C2CCC3(C)C(CC(=O)Nc4ccnc(C)c4)CCC3C2C1.
What is the InChIKey of 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?
The InChIKey is LZUGVEBJAICNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-17-14-21-22-7-6-19(16-24(32)30-20-10-13-29-18(2)15-20)27(22,3)11-8-23(21)28(4)12-9-25(33)31(5)26(17)28/h10,13,15,19,21-23H,6-9,11-12,14,16H2,1-5H3,(H,29,30,32).
What are the key properties of 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?
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 has a molecular weight of 449.64 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).