(4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one

C14H16FNO — CID 15839528

IUPAC(4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one
SMILESC[C@]12CCC(=O)N[C@@H]1CCc1ccc(F)cc12
InChIInChI=1S/C14H16FNO/c1-14-7-6-13(17)16-12(14)5-3-9-2-4-10(15)8-11(9)14/h2,4,8,12H,3,5-7H2,1H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyYDGVXTVKIPGEQF-TZMCWYRMSA-N
MW233.29 g/mol
LogP2.31
Rot. Bonds

About (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one

(4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one (PubChem CID 15839528) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name(4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one
PubChem CID15839528
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one
SMILESC[C@]12CCC(=O)N[C@@H]1CCc1ccc(F)cc12
InChIInChI=1S/C14H16FNO/c1-14-7-6-13(17)16-12(14)5-3-9-2-4-10(15)8-11(9)14/h2,4,8,12H,3,5-7H2,1H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyYDGVXTVKIPGEQF-TZMCWYRMSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one with MolForge

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Launch Full Analysis

Related Compounds

(4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 44299652
(4S,9aR,11aR)-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-4-phenyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
CID 44350246
1,2,3,4-Tetrahydro-1,4-(epiminomethano)naphthalen-9-one
CID 303841
8-Fluoro-4-methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 9991591
4-Methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10082004
4,8-Dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10105225
(4aS,10bR)-8-fluoro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 10331550
8-[4-((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 10620194
(4aR,10bR)-4,10b-Dimethyl-8-((Z)-styryl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 44351707
8-Chloro-10b-methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 9881419
8-Iodo-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 9798052
4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 19707315

Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one (CID 15839528) is (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one is C[C@]12CCC(=O)N[C@@H]1CCc1ccc(F)cc12.
What is the InChIKey of (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is YDGVXTVKIPGEQF-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H16FNO/c1-14-7-6-13(17)16-12(14)5-3-9-2-4-10(15)8-11(9)14/h2,4,8,12H,3,5-7H2,1H3,(H,16,17)/t12-,14-/m1/s1.
What are the key properties of (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
(4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 233.29 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-9-fluoro-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 15839528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).