(3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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

C26H34FN3O2 — CID 69053337

IUPAC(3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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
SMILESCC1=C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(C(=O)Nc4ccc(F)cn4)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C26H34FN3O2/c1-15-13-17-18-6-7-20(24(32)29-21-8-5-16(27)14-28-21)25(18,2)11-9-19(17)26(3)12-10-22(31)30(4)23(15)26/h5,8,14,17-20H,6-7,9-13H2,1-4H3,(H,28,29,32)/t17-,18-,19+,20?,25-,26+/m0/s1
InChIKeyARFLUUVOWMDQCW-UBXPUGKJSA-N
MW439.58 g/mol
LogP5.15
Rot. Bonds2

About (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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

(3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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 (PubChem CID 69053337) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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
PubChem CID69053337
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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
SMILESCC1=C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(C(=O)Nc4ccc(F)cn4)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C26H34FN3O2/c1-15-13-17-18-6-7-20(24(32)29-21-8-5-16(27)14-28-21)25(18,2)11-9-19(17)26(3)12-10-22(31)30(4)23(15)26/h5,8,14,17-20H,6-7,9-13H2,1-4H3,(H,28,29,32)/t17-,18-,19+,20?,25-,26+/m0/s1
InChIKeyARFLUUVOWMDQCW-UBXPUGKJSA-N
XLogP5.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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 69053337) is (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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 is CC1=C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(C(=O)Nc4ccc(F)cn4)CC[C@H]3[C@@H]2C1.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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?
The InChIKey is ARFLUUVOWMDQCW-UBXPUGKJSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-15-13-17-18-6-7-20(24(32)29-21-8-5-16(27)14-28-21)25(18,2)11-9-19(17)26(3)12-10-22(31)30(4)23(15)26/h5,8,14,17-20H,6-7,9-13H2,1-4H3,(H,28,29,32)/t17-,18-,19+,20?,25-,26+/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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?
(3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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 has a molecular weight of 439.58 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-N-(5-fluoro-2-pyridinyl)-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 is sourced from PubChem (CID 69053337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).