2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one

C17H15F3N2O — CID 70381995

IUPAC2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one
SMILESCC1=C(C)C(c2ccccc2C(F)(F)F)c2c(cc[nH]c2=O)N1
InChIInChI=1S/C17H15F3N2O/c1-9-10(2)22-13-7-8-21-16(23)15(13)14(9)11-5-3-4-6-12(11)17(18,19)20/h3-8,14,22H,1-2H3,(H,21,23)
InChIKeyYTNSLPBYFRTXRV-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.24
Rot. Bonds1

About 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one

2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one (PubChem CID 70381995) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one
PubChem CID70381995
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one
SMILESCC1=C(C)C(c2ccccc2C(F)(F)F)c2c(cc[nH]c2=O)N1
InChIInChI=1S/C17H15F3N2O/c1-9-10(2)22-13-7-8-21-16(23)15(13)14(9)11-5-3-4-6-12(11)17(18,19)20/h3-8,14,22H,1-2H3,(H,21,23)
InChIKeyYTNSLPBYFRTXRV-UHFFFAOYSA-N
XLogP4.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

[3-ethoxycarbonyloxy-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-8-yl] ethyl carbonate
CID 70474386
3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171825935
[5-carboxyoxy-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] hydrogen carbonate
CID 23182937
2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one
CID 70354245
(4R)-5-(dihydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
CID 163116856
(8R)-6-methyl-8-[2-(trifluoromethyl)phenyl]-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930186
(4R)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 743168
(4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 743171
(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467
(4-methylphenyl)methyl (4S)-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7414226
(4R)-4-[2-(trifluoromethyl)phenyl]-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 27878423
2,2-diethyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81415107

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one?
The IUPAC name of 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one (CID 70381995) is 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one?
The canonical SMILES for 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one is CC1=C(C)C(c2ccccc2C(F)(F)F)c2c(cc[nH]c2=O)N1.
What is the InChIKey of 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one?
The InChIKey is YTNSLPBYFRTXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-9-10(2)22-13-7-8-21-16(23)15(13)14(9)11-5-3-4-6-12(11)17(18,19)20/h3-8,14,22H,1-2H3,(H,21,23).
What are the key properties of 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one?
2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one has a molecular weight of 320.31 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one is sourced from PubChem (CID 70381995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).