ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C20H17F3N2O2 — CID 50916723

IUPACethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cc3ccccc3C)nc2nc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O2/c1-3-27-19(26)16-11-14-8-9-15(10-13-7-5-4-6-12(13)2)24-18(14)25-17(16)20(21,22)23/h4-9,11H,3,10H2,1-2H3
InChIKeyWVBVHIVAQLXWLF-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.72
Rot. Bonds4

About ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 50916723) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID50916723
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Nameethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cc3ccccc3C)nc2nc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O2/c1-3-27-19(26)16-11-14-8-9-15(10-13-7-5-4-6-12(13)2)24-18(14)25-17(16)20(21,22)23/h4-9,11H,3,10H2,1-2H3
InChIKeyWVBVHIVAQLXWLF-UHFFFAOYSA-N
XLogP4.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 50916723) is ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccc(Cc3ccccc3C)nc2nc1C(F)(F)F.
What is the InChIKey of ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is WVBVHIVAQLXWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-3-27-19(26)16-11-14-8-9-15(10-13-7-5-4-6-12(13)2)24-18(14)25-17(16)20(21,22)23/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 374.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50916723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).