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

C27H36FN3O2 — CID 71101089

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-(5-fluoro-2-pyridinyl)acetamide
SMILESCC1=C2N(C)C(=O)CCC2(C)C2CCC3(C)C(CC(=O)Nc4ccc(F)cn4)CCC3C2C1
InChIInChI=1S/C27H36FN3O2/c1-16-13-19-20-7-5-17(14-23(32)30-22-8-6-18(28)15-29-22)26(20,2)11-9-21(19)27(3)12-10-24(33)31(4)25(16)27/h6,8,15,17,19-21H,5,7,9-14H2,1-4H3,(H,29,30,32)
InChIKeyRCRCBVMXFDCWNY-UHFFFAOYSA-N
MW453.60 g/mol
LogP5.54
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-(5-fluoro-2-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-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 71101089) has the molecular formula C27H36FN3O2 and a molecular weight of 453.60 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-(5-fluoro-2-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-(5-fluoro-2-pyridinyl)acetamide
PubChem CID71101089
Molecular FormulaC27H36FN3O2
Molecular Weight453.60 g/mol
Exact Mass453.28
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-(5-fluoro-2-pyridinyl)acetamide
SMILESCC1=C2N(C)C(=O)CCC2(C)C2CCC3(C)C(CC(=O)Nc4ccc(F)cn4)CCC3C2C1
InChIInChI=1S/C27H36FN3O2/c1-16-13-19-20-7-5-17(14-23(32)30-22-8-6-18(28)15-29-22)26(20,2)11-9-21(19)27(3)12-10-24(33)31(4)25(16)27/h6,8,15,17,19-21H,5,7,9-14H2,1-4H3,(H,29,30,32)
InChIKeyRCRCBVMXFDCWNY-UHFFFAOYSA-N
XLogP5.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.60
LogP ≤ 55.54
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-(5-fluoro-2-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-(5-fluoro-2-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-(5-fluoro-2-pyridinyl)acetamide (CID 71101089) 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-(5-fluoro-2-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-(5-fluoro-2-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-(5-fluoro-2-pyridinyl)acetamide is CC1=C2N(C)C(=O)CCC2(C)C2CCC3(C)C(CC(=O)Nc4ccc(F)cn4)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-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is RCRCBVMXFDCWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O2/c1-16-13-19-20-7-5-17(14-23(32)30-22-8-6-18(28)15-29-22)26(20,2)11-9-21(19)27(3)12-10-24(33)31(4)25(16)27/h6,8,15,17,19-21H,5,7,9-14H2,1-4H3,(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-(5-fluoro-2-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-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 453.60 g/mol, XLogP of 5.54, 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-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 71101089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).