ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate

C48H47F3N6O8 — CID 67873187

IUPACethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(OC(F)(F)F)cc1.CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4.C21H20F3N3O4/c1-4-32-24-15-22-25(23(27(31)33-5-2)16-28-26(22)29-18(24)3)30-20-11-13-21(14-12-20)34-17-19-9-7-6-8-10-19;1-4-29-17-10-15-18(27-13-6-8-14(9-7-13)31-21(22,23)24)16(20(28)30-5-2)11-25-19(15)26-12(17)3/h6-16H,4-5,17H2,1-3H3,(H,28,29,30);6-11H,4-5H2,1-3H3,(H,25,26,27)
InChIKeyAOGCILHOCGNLFT-UHFFFAOYSA-N
MW892.93 g/mol
LogP10.99
Rot. Bonds16

About ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate

ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate (PubChem CID 67873187) has the molecular formula C48H47F3N6O8 and a molecular weight of 892.93 g/mol. Its IUPAC name is ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
PubChem CID67873187
Molecular FormulaC48H47F3N6O8
Molecular Weight892.93 g/mol
Exact Mass892.34
IUPAC Nameethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(OC(F)(F)F)cc1.CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4.C21H20F3N3O4/c1-4-32-24-15-22-25(23(27(31)33-5-2)16-28-26(22)29-18(24)3)30-20-11-13-21(14-12-20)34-17-19-9-7-6-8-10-19;1-4-29-17-10-15-18(27-13-6-8-14(9-7-13)31-21(22,23)24)16(20(28)30-5-2)11-25-19(15)26-12(17)3/h6-16H,4-5,17H2,1-3H3,(H,28,29,30);6-11H,4-5H2,1-3H3,(H,25,26,27)
InChIKeyAOGCILHOCGNLFT-UHFFFAOYSA-N
XLogP10.99
TPSA165.14 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500892.93
LogP ≤ 510.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate (CID 67873187) is ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(OC(F)(F)F)cc1.CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
The InChIKey is AOGCILHOCGNLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4.C21H20F3N3O4/c1-4-32-24-15-22-25(23(27(31)33-5-2)16-28-26(22)29-18(24)3)30-20-11-13-21(14-12-20)34-17-19-9-7-6-8-10-19;1-4-29-17-10-15-18(27-13-6-8-14(9-7-13)31-21(22,23)24)16(20(28)30-5-2)11-25-19(15)26-12(17)3/h6-16H,4-5,17H2,1-3H3,(H,28,29,30);6-11H,4-5H2,1-3H3,(H,25,26,27).
What are the key properties of ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate has a molecular weight of 892.93 g/mol, XLogP of 10.99, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 67873187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).