6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one

C19H22F3N3O2 — CID 50760643

IUPAC6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)N3CCCCC3C)c2cc1C
InChIInChI=1S/C19H22F3N3O2/c1-11-8-14-15(9-12(11)2)25(18(27)17(23-14)19(20,21)22)10-16(26)24-7-5-4-6-13(24)3/h8-9,13H,4-7,10H2,1-3H3
InChIKeyNAFXPELHXRTIHB-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.43
Rot. Bonds2

About 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one

6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one (PubChem CID 50760643) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
PubChem CID50760643
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)N3CCCCC3C)c2cc1C
InChIInChI=1S/C19H22F3N3O2/c1-11-8-14-15(9-12(11)2)25(18(27)17(23-14)19(20,21)22)10-16(26)24-7-5-4-6-13(24)3/h8-9,13H,4-7,10H2,1-3H3
InChIKeyNAFXPELHXRTIHB-UHFFFAOYSA-N
XLogP3.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 92887446
1-(2-methylpiperidin-1-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
CID 3189385
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002359
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 22429437
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
CID 7098941
7-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-3-one
CID 16675158
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324603
2,2-dimethyl-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16975055
2-[2-(benzylamino)benzimidazol-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 9119343

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one (CID 50760643) is 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one is Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)N3CCCCC3C)c2cc1C.
What is the InChIKey of 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
The InChIKey is NAFXPELHXRTIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-11-8-14-15(9-12(11)2)25(18(27)17(23-14)19(20,21)22)10-16(26)24-7-5-4-6-13(24)3/h8-9,13H,4-7,10H2,1-3H3.
What are the key properties of 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 381.40 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 50760643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).