8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione

C17H15F3N2O3 — CID 54705331

IUPAC8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C17H15F3N2O3/c1-21-9-11-5-6-22(15(24)13(11)14(23)16(21)25)8-10-3-2-4-12(7-10)17(18,19)20/h2-4,7,9,23H,5-6,8H2,1H3
InChIKeyHACMMQUQXFQREK-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.31
Rot. Bonds2

About 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione

8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 54705331) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione
PubChem CID54705331
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C17H15F3N2O3/c1-21-9-11-5-6-22(15(24)13(11)14(23)16(21)25)8-10-3-2-4-12(7-10)17(18,19)20/h2-4,7,9,23H,5-6,8H2,1H3
InChIKeyHACMMQUQXFQREK-UHFFFAOYSA-N
XLogP2.31
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
CID 54683308
N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methyl-acetamide
CID 54684489
6-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
CID 54692263
6-[(4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54692270
N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54692272
N,N-diethyl-6-[(4-fluorophenyl)methyl]-3,4-dihydroxy-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54692273
2-[(2-Chloro-6-fluoro-phenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
CID 54707915
4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one
CID 54693111
1-Benzyl-3-hydroxy-4-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyridin-2-one
CID 49820372
2-[(3,4-difluorophenyl)methyl]-8-hydroxy-5,5,6-trimethyl-4,4a-dihydro-3H-2,6-naphthyridine-1,7-dione
CID 54677867
6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54678881
2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-4a-phenyl-4,5-dihydro-3H-2,6-naphthyridine-1,7-dione
CID 54680614

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 54705331) is 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione is Cn1cc2c(c(O)c1=O)C(=O)N(Cc1cccc(C(F)(F)F)c1)CC2.
What is the InChIKey of 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The InChIKey is HACMMQUQXFQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-21-9-11-5-6-22(15(24)13(11)14(23)16(21)25)8-10-3-2-4-12(7-10)17(18,19)20/h2-4,7,9,23H,5-6,8H2,1H3.
What are the key properties of 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione?
8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 352.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 54705331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).