9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

C19H16F3N3O2 — CID 18788226

IUPAC9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3c(c2[nH]c1=O)CN(Cc1cccc(C(F)(F)F)c1)CC3
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)13-3-1-2-11(8-13)9-25-7-6-12-4-5-15-16(14(12)10-25)24-18(27)17(26)23-15/h1-5,8H,6-7,9-10H2,(H,23,26)(H,24,27)
InChIKeyCMXVYBPLGVCJFM-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.79
Rot. Bonds2

About 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (PubChem CID 18788226) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
PubChem CID18788226
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3c(c2[nH]c1=O)CN(Cc1cccc(C(F)(F)F)c1)CC3
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)13-3-1-2-11(8-13)9-25-7-6-12-4-5-15-16(14(12)10-25)24-18(27)17(26)23-15/h1-5,8H,6-7,9-10H2,(H,23,26)(H,24,27)
InChIKeyCMXVYBPLGVCJFM-UHFFFAOYSA-N
XLogP2.79
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione 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

ethyl 3-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzoate
CID 67190183
8-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-5,6-diamine
CID 21253052
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
7-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267923
2-(dimethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136665774
methanesulfonic acid;6-nitro-8-[[4-(trifluoromethyl)phenyl]methyl]-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
CID 21253070
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
2,3-dihydro-1H-inden-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021240
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731662
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (CID 18788226) is 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.
What is the SMILES notation for 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The canonical SMILES for 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is O=c1[nH]c2ccc3c(c2[nH]c1=O)CN(Cc1cccc(C(F)(F)F)c1)CC3.
What is the InChIKey of 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The InChIKey is CMXVYBPLGVCJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)13-3-1-2-11(8-13)9-25-7-6-12-4-5-15-16(14(12)10-25)24-18(27)17(26)23-15/h1-5,8H,6-7,9-10H2,(H,23,26)(H,24,27).
What are the key properties of 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione has a molecular weight of 375.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(trifluoromethyl)phenyl]methyl]-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is sourced from PubChem (CID 18788226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).