2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide

C27H35F2N3O2 — CID 76557999

IUPAC2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
SMILESCN1C(=O)C=CC2(C)C3CCC4(C)C(C(F)C(=O)NCc5ncccc5F)CCC4C3CCC12
InChIInChI=1S/C27H35F2N3O2/c1-26-12-10-18-16(6-9-22-27(18,2)13-11-23(33)32(22)3)17(26)7-8-19(26)24(29)25(34)31-15-21-20(28)5-4-14-30-21/h4-5,11,13-14,16-19,22,24H,6-10,12,15H2,1-3H3,(H,31,34)
InChIKeyFXBQLCHBNAQZON-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.43
Rot. Bonds4

About 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide

2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide (PubChem CID 76557999) has the molecular formula C27H35F2N3O2 and a molecular weight of 471.59 g/mol. Its IUPAC name is 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
PubChem CID76557999
Molecular FormulaC27H35F2N3O2
Molecular Weight471.59 g/mol
Exact Mass471.27
IUPAC Name2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
SMILESCN1C(=O)C=CC2(C)C3CCC4(C)C(C(F)C(=O)NCc5ncccc5F)CCC4C3CCC12
InChIInChI=1S/C27H35F2N3O2/c1-26-12-10-18-16(6-9-22-27(18,2)13-11-23(33)32(22)3)17(26)7-8-19(26)24(29)25(34)31-15-21-20(28)5-4-14-30-21/h4-5,11,13-14,16-19,22,24H,6-10,12,15H2,1-3H3,(H,31,34)
InChIKeyFXBQLCHBNAQZON-UHFFFAOYSA-N
XLogP4.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(1-pyrimidin-2-ylbutan-2-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67618649
(3aS,3bS,9aR,9bR,11aS)-N-[(3,4-difluorophenyl)methyl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69355132
2-[(1S,3aS,5aR,9aR,11aS)-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]-2-hydroxyacetic acid
CID 58772598
(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-(pyridin-3-ylmethyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69354663
N-[(3aS,3bS,9aR,9bR,11aS)-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]-2-pyridin-2-ylacetamide
CID 67481289
N-[1-[(1S,3aS,3bS,9aR,9bS,11aS)-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]ethyl]-2-propan-2-ylsulfanylacetamide
CID 57101870
1-[2-[(1R,3aS,3bS,9aR,9bS,11aS)-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]propyl]-3-(2-ethoxyphenyl)urea
CID 70270286
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-[2-[2-(1,1-difluoroethyl)phenyl]acetyl]-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 167609098
N-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-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]-2-(2-methylphenyl)acetamide
CID 71104275
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-(pyridin-4-ylmethyl)acetamide
CID 68905234
(2-fluorophenyl) N-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-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]carbamate
CID 59691366
[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-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]-acetamidomethyl] acetate
CID 67602491

Frequently Asked Questions

What is the IUPAC name of 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide (CID 76557999) is 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide is CN1C(=O)C=CC2(C)C3CCC4(C)C(C(F)C(=O)NCc5ncccc5F)CCC4C3CCC12.
What is the InChIKey of 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
The InChIKey is FXBQLCHBNAQZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N3O2/c1-26-12-10-18-16(6-9-22-27(18,2)13-11-23(33)32(22)3)17(26)7-8-19(26)24(29)25(34)31-15-21-20(28)5-4-14-30-21/h4-5,11,13-14,16-19,22,24H,6-10,12,15H2,1-3H3,(H,31,34).
What are the key properties of 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide has a molecular weight of 471.59 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(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)-2-fluoro-N-[(3-fluoro-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 76557999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).