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

C19H20FNO — CID 56989253

IUPAC8-fluoro-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)ccc4C3CC12
InChIInChI=1S/C19H20FNO/c1-10-9-19(2,3)21-17-8-16-14(7-13(10)17)12-5-4-11(20)6-15(12)18(16)22/h4-6,9,13-14,16H,7-8H2,1-3H3
InChIKeyVSMBRTPCOFSHBE-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.31
Rot. Bonds

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

8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (PubChem CID 56989253) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.

Molecular Properties

Compound Name8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
PubChem CID56989253
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name8-fluoro-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)ccc4C3CC12
InChIInChI=1S/C19H20FNO/c1-10-9-19(2,3)21-17-8-16-14(7-13(10)17)12-5-4-11(20)6-15(12)18(16)22/h4-6,9,13-14,16H,7-8H2,1-3H3
InChIKeyVSMBRTPCOFSHBE-UHFFFAOYSA-N
XLogP4.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-fluoro-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

10-(4-fluorophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 3113148
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
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
5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57242231
5-fluoro-3-methylimino-1-[(4-methylphenyl)methyl]-1H-inden-2-one
CID 68372817
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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The IUPAC name of 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (CID 56989253) is 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.
What is the SMILES notation for 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The canonical SMILES for 8-fluoro-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)ccc4C3CC12.
What is the InChIKey of 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The InChIKey is VSMBRTPCOFSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-10-9-19(2,3)21-17-8-16-14(7-13(10)17)12-5-4-11(20)6-15(12)18(16)22/h4-6,9,13-14,16H,7-8H2,1-3H3.
What are the key properties of 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one has a molecular weight of 297.37 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is sourced from PubChem (CID 56989253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).