7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one

C19H19F2NO — CID 56993600

IUPAC7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4c(F)cc(F)cc4C3CC12
InChIInChI=1S/C19H19F2NO/c1-9-8-19(2,3)22-16-7-14-12(6-11(9)16)13-4-10(20)5-15(21)17(13)18(14)23/h4-5,8,11-12,14H,6-7H2,1-3H3
InChIKeyXUUSTZAFKASKLA-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.45
Rot. Bonds

About 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one

7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (PubChem CID 56993600) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.

Molecular Properties

Compound Name7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
PubChem CID56993600
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4c(F)cc(F)cc4C3CC12
InChIInChI=1S/C19H19F2NO/c1-9-8-19(2,3)22-16-7-14-12(6-11(9)16)13-4-10(20)5-15(21)17(13)18(14)23/h4-5,8,11-12,14H,6-7H2,1-3H3
InChIKeyXUUSTZAFKASKLA-UHFFFAOYSA-N
XLogP4.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one with MolForge

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Related Compounds

(1S,3aS,3bS,9aR,9bS,11aS)-1-(2,4-difluorobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one
CID 53994300
8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56989253
6-fluoro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57124811
6-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57138398
5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57242231
(1S,9aR,11aS)-1-(2,6-Difluoro-benzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one
CID 91929208
1-[3-(8-ethenyl-3,4-dimethyl-9bH-benzo[g]isoindol-1-yl)-4-fluorophenyl]propan-1-one
CID 143812421
5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56976607
5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57124185
2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57202439
1-(2,2,4-Trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone
CID 57305498
ethane;1-[3-(8-ethenyl-3,4-dimethyl-9bH-benzo[g]isoindol-1-yl)-4-fluorophenyl]propan-1-one;molecular hydrogen
CID 143812420

Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The IUPAC name of 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (CID 56993600) is 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.
What is the SMILES notation for 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The canonical SMILES for 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is CC1=CC(C)(C)N=C2CC3C(=O)c4c(F)cc(F)cc4C3CC12.
What is the InChIKey of 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The InChIKey is XUUSTZAFKASKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c1-9-8-19(2,3)22-16-7-14-12(6-11(9)16)13-4-10(20)5-15(21)17(13)18(14)23/h4-5,8,11-12,14H,6-7H2,1-3H3.
What are the key properties of 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one has a molecular weight of 315.36 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is sourced from PubChem (CID 56993600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).