1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

C124H96Cl3F5N12O18 — CID 158418438

About 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (PubChem CID 158418438) has the molecular formula C124H96Cl3F5N12O18 and a molecular weight of 2243.55 g/mol. Its IUPAC name is 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
• PubChem CID: 158418438
• Molecular Formula: C124H96Cl3F5N12O18
• Molecular Weight: 2243.55 g/mol
• Exact Mass: 2240.60
• IUPAC Name: 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
• SMILES: CC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.CC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3cccc(F)c3)cnc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc([N+](=O)[O-])c3)ccc2c1
• InChI: InChI=1S/C19H15ClFNO3.C19H16N2O5.C18H14ClNO2.C17H13ClN2O2.C17H12F2N2O2.2C17H13FN2O2/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-17(21)16(20)7-12;1-2-25-19(22)15-9-14-6-7-17(10-18(14)20-11-15)26-12-13-4-3-5-16(8-13)21(23)24;1-12(21)15-8-14-5-6-17(9-18(14)20-10-15)22-11-13-3-2-4-16(19)7-13;1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-3-2-4-14(18)5-12;1-10(22)12-5-16-17(20-7-12)6-13(8-21-16)23-9-11-2-3-14(18)15(19)4-11;1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-2-4-14(18)5-3-12;1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-3-2-4-14(18)5-12/h3-10H,2,11H2,1H3;3-11H,2,12H2,1H3;2-10H,11H2,1H3;2-9H,10H2,1H3;2-8H,9H2,1H3;2*2-9H,10H2,1H3
• InChIKey: ALNVCOJSAYURKV-UHFFFAOYSA-N
• XLogP: 28.21
• TPSA: 387.49 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.55
LogP ≤ 5	28.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?

The IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (CID 158418438) is 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone.

What is the SMILES notation for 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?

The canonical SMILES for 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.CC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3cccc(F)c3)cnc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc([N+](=O)[O-])c3)ccc2c1.

What is the InChIKey of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?

The InChIKey is ALNVCOJSAYURKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3.C19H16N2O5.C18H14ClNO2.C17H13ClN2O2.C17H12F2N2O2.2C17H13FN2O2/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-17(21)16(20)7-12;1-2-25-19(22)15-9-14-6-7-17(10-18(14)20-11-15)26-12-13-4-3-5-16(8-13)21(23)24;1-12(21)15-8-14-5-6-17(9-18(14)20-10-15)22-11-13-3-2-4-16(19)7-13;1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-3-2-4-14(18)5-12;1-10(22)12-5-16-17(20-7-12)6-13(8-21-16)23-9-11-2-3-14(18)15(19)4-11;1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-2-4-14(18)5-3-12;1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-3-2-4-14(18)5-12/h3-10H,2,11H2,1H3;3-11H,2,12H2,1H3;2-10H,11H2,1H3;2-9H,10H2,1H3;2-8H,9H2,1H3;2*2-9H,10H2,1H3.

What are the key properties of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?

1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 2243.55 g/mol, XLogP of 28.21, 31 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;1-[7-[(3-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 158418438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).