1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

C106H85Cl4F4N13O12 — CID 158166835

IUPAC1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.CCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C20H19ClN2O2.C18H15ClN2O2.C17H12ClFN2O2.C17H14ClN3O2.C17H12F2N2O2.C17H13FN2O2/c1-2-8-22-20(24)16-10-15-6-7-18(11-19(15)23-12-16)25-13-14-4-3-5-17(21)9-14;1-20-18(22)14-8-13-5-6-16(9-17(13)21-10-14)23-11-12-3-2-4-15(19)7-12;1-10(22)12-5-16-17(20-7-12)6-13(8-21-16)23-9-11-2-3-15(19)14(18)4-11;1-19-17(22)12-6-15-16(20-8-12)7-14(9-21-15)23-10-11-3-2-4-13(18)5-11;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/h3-7,9-12H,2,8,13H2,1H3,(H,22,24);2-10H,11H2,1H3,(H,20,22);2-8H,9H2,1H3;2-9H,10H2,1H3,(H,19,22);2-8H,9H2,1H3;2-9H,10H2,1H3
InChIKeyFWYFXJZIIQMHDV-UHFFFAOYSA-N
MW1950.73 g/mol
LogP23.10
Rot. Bonds26

About 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (PubChem CID 158166835) has the molecular formula C106H85Cl4F4N13O12 and a molecular weight of 1950.73 g/mol. Its IUPAC name is 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
PubChem CID158166835
Molecular FormulaC106H85Cl4F4N13O12
Molecular Weight1950.73 g/mol
Exact Mass1947.51
IUPAC Name1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.CCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C20H19ClN2O2.C18H15ClN2O2.C17H12ClFN2O2.C17H14ClN3O2.C17H12F2N2O2.C17H13FN2O2/c1-2-8-22-20(24)16-10-15-6-7-18(11-19(15)23-12-16)25-13-14-4-3-5-17(21)9-14;1-20-18(22)14-8-13-5-6-16(9-17(13)21-10-14)23-11-12-3-2-4-15(19)7-12;1-10(22)12-5-16-17(20-7-12)6-13(8-21-16)23-9-11-2-3-15(19)14(18)4-11;1-19-17(22)12-6-15-16(20-8-12)7-14(9-21-15)23-10-11-3-2-4-13(18)5-11;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/h3-7,9-12H,2,8,13H2,1H3,(H,22,24);2-10H,11H2,1H3,(H,20,22);2-8H,9H2,1H3;2-9H,10H2,1H3,(H,19,22);2-8H,9H2,1H3;2-9H,10H2,1H3
InChIKeyFWYFXJZIIQMHDV-UHFFFAOYSA-N
XLogP23.10
TPSA322.79 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.73
LogP ≤ 523.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)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-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (CID 158166835) is 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)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-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)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-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)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(Cl)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.CCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1.
What is the InChIKey of 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is FWYFXJZIIQMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2.C18H15ClN2O2.C17H12ClFN2O2.C17H14ClN3O2.C17H12F2N2O2.C17H13FN2O2/c1-2-8-22-20(24)16-10-15-6-7-18(11-19(15)23-12-16)25-13-14-4-3-5-17(21)9-14;1-20-18(22)14-8-13-5-6-16(9-17(13)21-10-14)23-11-12-3-2-4-15(19)7-12;1-10(22)12-5-16-17(20-7-12)6-13(8-21-16)23-9-11-2-3-15(19)14(18)4-11;1-19-17(22)12-6-15-16(20-8-12)7-14(9-21-15)23-10-11-3-2-4-13(18)5-11;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/h3-7,9-12H,2,8,13H2,1H3,(H,22,24);2-10H,11H2,1H3,(H,20,22);2-8H,9H2,1H3;2-9H,10H2,1H3,(H,19,22);2-8H,9H2,1H3;2-9H,10H2,1H3.
What are the key properties of 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 1950.73 g/mol, XLogP of 23.10, 26 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3-chloro-4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;7-[(3-chlorophenyl)methoxy]-N-methyl-1,5-naphthyridine-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-methylquinoline-3-carboxamide;7-[(3-chlorophenyl)methoxy]-N-propylquinoline-3-carboxamide;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone;1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 158166835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).