4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one

C20H23F3N2O — CID 91145663

IUPAC4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one
SMILESCC1(C)CC2CC(C)(CN2c2ccc3c(c2)=C(C(F)(F)F)CC(=O)N=3)C1
InChIInChI=1S/C20H23F3N2O/c1-18(2)8-13-9-19(3,10-18)11-25(13)12-4-5-16-14(6-12)15(20(21,22)23)7-17(26)24-16/h4-6,13H,7-11H2,1-3H3
InChIKeyRNMRWYWFSYYDSH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.35
Rot. Bonds1

About 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one

4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one (PubChem CID 91145663) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one
PubChem CID91145663
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one
SMILESCC1(C)CC2CC(C)(CN2c2ccc3c(c2)=C(C(F)(F)F)CC(=O)N=3)C1
InChIInChI=1S/C20H23F3N2O/c1-18(2)8-13-9-19(3,10-18)11-25(13)12-4-5-16-14(6-12)15(20(21,22)23)7-17(26)24-16/h4-6,13H,7-11H2,1-3H3
InChIKeyRNMRWYWFSYYDSH-UHFFFAOYSA-N
XLogP3.35
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one with MolForge

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Related Compounds

(1S,5S)-6-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 98184858
(1R,5R)-6-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 98184857
(1R,5R)-6-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 98184889
4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one
CID 2324131
4-chloro-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyridazin-6-one
CID 82213986
7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
CID 98113090
(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 50937998
2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline
CID 6565616
[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 4862348
1,5-dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazol-3-one
CID 2846108
[5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 1129794
5-methylsulfonyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid
CID 59706431

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one?
The IUPAC name of 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one (CID 91145663) is 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one is CC1(C)CC2CC(C)(CN2c2ccc3c(c2)=C(C(F)(F)F)CC(=O)N=3)C1.
What is the InChIKey of 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one?
The InChIKey is RNMRWYWFSYYDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-18(2)8-13-9-19(3,10-18)11-25(13)12-4-5-16-14(6-12)15(20(21,22)23)7-17(26)24-16/h4-6,13H,7-11H2,1-3H3.
What are the key properties of 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one?
4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one has a molecular weight of 364.41 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-3H-quinolin-2-one is sourced from PubChem (CID 91145663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).