ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C19H16F2N2O3 — CID 169248811

IUPACethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(Cc3ccc(F)c(F)c3)ccc2nc1C
InChIInChI=1S/C19H16F2N2O3/c1-3-26-19(25)13-9-14-17(22-11(13)2)6-7-23(18(14)24)10-12-4-5-15(20)16(21)8-12/h4-9H,3,10H2,1-2H3
InChIKeyXTJOHEKWFXDZHB-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.21
Rot. Bonds4

About ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 169248811) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID169248811
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Nameethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(Cc3ccc(F)c(F)c3)ccc2nc1C
InChIInChI=1S/C19H16F2N2O3/c1-3-26-19(25)13-9-14-17(22-11(13)2)6-7-23(18(14)24)10-12-4-5-15(20)16(21)8-12/h4-9H,3,10H2,1-2H3
InChIKeyXTJOHEKWFXDZHB-UHFFFAOYSA-N
XLogP3.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248853
[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
CID 169248834
ethyl 4-amino-1-[(3,4-difluorophenyl)methyl]-6-methylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 71209202
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 66501613
ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 639609
ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 14666330
ethyl 1-[(3,4-difluorophenyl)methyl]pyrrole-2-carboxylate
CID 105422073
6-[(4-chlorophenyl)methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248867
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
6-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 170306689
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 169248811) is ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)n(Cc3ccc(F)c(F)c3)ccc2nc1C.
What is the InChIKey of ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is XTJOHEKWFXDZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-3-26-19(25)13-9-14-17(22-11(13)2)6-7-23(18(14)24)10-12-4-5-15(20)16(21)8-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 358.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 169248811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).