3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one

C41H32F3N5O6 — CID 162263303

IUPAC3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one
SMILESCOc1ccc(C(=O)c2c[nH]c3ncccc3c2=O)cc1C.COc1ccc(C(=O)c2cn(Cc3cccc(C(F)(F)F)n3)c3ncccc3c2=O)cc1C
InChIInChI=1S/C24H18F3N3O3.C17H14N2O3/c1-14-11-15(8-9-19(14)33-2)21(31)18-13-30(23-17(22(18)32)6-4-10-28-23)12-16-5-3-7-20(29-16)24(25,26)27;1-10-8-11(5-6-14(10)22-2)15(20)13-9-19-17-12(16(13)21)4-3-7-18-17/h3-11,13H,12H2,1-2H3;3-9H,1-2H3,(H,18,19,21)
InChIKeyZZNZZTNCNZBCFR-UHFFFAOYSA-N
MW747.73 g/mol
LogP6.88
Rot. Bonds8

About 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one

3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one (PubChem CID 162263303) has the molecular formula C41H32F3N5O6 and a molecular weight of 747.73 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one
PubChem CID162263303
Molecular FormulaC41H32F3N5O6
Molecular Weight747.73 g/mol
Exact Mass747.23
IUPAC Name3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one
SMILESCOc1ccc(C(=O)c2c[nH]c3ncccc3c2=O)cc1C.COc1ccc(C(=O)c2cn(Cc3cccc(C(F)(F)F)n3)c3ncccc3c2=O)cc1C
InChIInChI=1S/C24H18F3N3O3.C17H14N2O3/c1-14-11-15(8-9-19(14)33-2)21(31)18-13-30(23-17(22(18)32)6-4-10-28-23)12-16-5-3-7-20(29-16)24(25,26)27;1-10-8-11(5-6-14(10)22-2)15(20)13-9-19-17-12(16(13)21)4-3-7-18-17/h3-11,13H,12H2,1-2H3;3-9H,1-2H3,(H,18,19,21)
InChIKeyZZNZZTNCNZBCFR-UHFFFAOYSA-N
XLogP6.88
TPSA146.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.73
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one with MolForge

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Related Compounds

(4-Methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(5-methylpyridin-2-yl)piperazin-1-yl)methanone
CID 44516014
(4-Methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 50942116
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-1,8-naphthyridin-4-one
CID 67617276
4-methoxy-N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86297276
(3-fluoro-4-methoxyphenyl)(1-{[1-(2-pyridinyl)-1H-pyrrol-2-yl]methyl}-3-piperidinyl)methanone
CID 16189832
(4-Methoxy-3-((6-methylpyridin-2-yl)ethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 53323847
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 134146441
(2-Methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099012
(4-Methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099018
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 119099039
4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 2741889
(4-(4-Fluorobenzyl)piperazin-1-yl)(6-(4-(4-methoxybenzoyl) piperidin-1-yl)pyridin-3-yl)methanone
CID 58073269

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one?
The IUPAC name of 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one (CID 162263303) is 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one is COc1ccc(C(=O)c2c[nH]c3ncccc3c2=O)cc1C.COc1ccc(C(=O)c2cn(Cc3cccc(C(F)(F)F)n3)c3ncccc3c2=O)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one?
The InChIKey is ZZNZZTNCNZBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3.C17H14N2O3/c1-14-11-15(8-9-19(14)33-2)21(31)18-13-30(23-17(22(18)32)6-4-10-28-23)12-16-5-3-7-20(29-16)24(25,26)27;1-10-8-11(5-6-14(10)22-2)15(20)13-9-19-17-12(16(13)21)4-3-7-18-17/h3-11,13H,12H2,1-2H3;3-9H,1-2H3,(H,18,19,21).
What are the key properties of 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one?
3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one has a molecular weight of 747.73 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 162263303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).