5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one

C19H19F2NO — CID 57242231

IUPAC5,8-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)c4cc(F)ccc4C3C(F)C12
InChIInChI=1S/C19H19F2NO/c1-9-8-19(2,3)22-14-7-13-16(17(21)15(9)14)11-5-4-10(20)6-12(11)18(13)23/h4-6,8,13,15-17H,7H2,1-3H3
InChIKeyQJGLKYHKPLLEPD-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.26
Rot. Bonds

About 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one

5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (PubChem CID 57242231) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.

Molecular Properties

Compound Name5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
PubChem CID57242231
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name5,8-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)c4cc(F)ccc4C3C(F)C12
InChIInChI=1S/C19H19F2NO/c1-9-8-19(2,3)22-14-7-13-16(17(21)15(9)14)11-5-4-10(20)6-12(11)18(13)23/h4-6,8,13,15-17H,7H2,1-3H3
InChIKeyQJGLKYHKPLLEPD-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one with MolForge

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Launch Full Analysis

Related Compounds

2-(6-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylpropan-1-one
CID 22290558
(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
7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56993600
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
2-(7-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylethanone
CID 90826882
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(2-fluorophenyl)ethanone
CID 90975039
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-fluorophenyl)ethanone
CID 91061337
2-(5-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylethanone
CID 91217369
2-(6-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylethanone
CID 91272219
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(3-fluorophenyl)ethanone
CID 91273677

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The IUPAC name of 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (CID 57242231) is 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.
What is the SMILES notation for 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The canonical SMILES for 5,8-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)c4cc(F)ccc4C3C(F)C12.
What is the InChIKey of 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The InChIKey is QJGLKYHKPLLEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c1-9-8-19(2,3)22-14-7-13-16(17(21)15(9)14)11-5-4-10(20)6-12(11)18(13)23/h4-6,8,13,15-17H,7H2,1-3H3.
What are the key properties of 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
5,8-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 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is sourced from PubChem (CID 57242231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).