2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one
C138H119ClF10N12O15 — CID 158426548
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)cc1C(C)(F)F.Cc1ccc(N2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)nc1.Cc1cccc(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)c1F.O=C1CCCc2nc(OCc3cccc(Cl)c3)ccc21.O=C1CCCc2nc(OCc3cccc(F)c3)ccc21.O=C1CCCc2nc(OCc3ccccc3F)ccc21.O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1c1cccc(F)c1
InChIInChI=1S/C25H23F3N2O3.C23H20F2N2O2.C21H16F2N2O2.C21H18FN3O2.C16H14ClNO2.2C16H14FNO2/c1-25(27,28)20-13-16(6-8-22(20)32-2)14-30-11-10-21-19(24(30)31)7-9-23(29-21)33-15-17-4-3-5-18(26)12-17;1-15-4-2-6-17(22(15)25)13-27-11-10-20-19(23(27)28)8-9-21(26-20)29-14-16-5-3-7-18(24)12-16;22-15-4-1-3-14(11-15)13-27-20-8-7-18-19(24-20)9-10-25(21(18)26)17-6-2-5-16(23)12-17;1-14-5-7-19(23-12-14)25-10-9-18-17(21(25)26)6-8-20(24-18)27-13-15-3-2-4-16(22)11-15;2*17-12-4-1-3-11(9-12)10-20-16-8-7-13-14(18-16)5-2-6-15(13)19;17-13-5-2-1-4-11(13)10-20-16-9-8-12-14(18-16)6-3-7-15(12)19/h3-9,12-13H,10-11,14-15H2,1-2H3;2-9,12H,10-11,13-14H2,1H3;1-8,11-12H,9-10,13H2;2-8,11-12H,9-10,13H2,1H3;2*1,3-4,7-9H,2,5-6,10H2;1-2,4-5,8-9H,3,6-7,10H2
InChIKeyHBCSMOWOTYDDEH-UHFFFAOYSA-N
MW2410.97 g/mol
LogP27.88
Rot. Bonds29
About 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one
2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 158426548) has the molecular formula C138H119ClF10N12O15 and a molecular weight of 2410.97 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one.
Molecular Properties
| Compound Name | 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one |
|---|---|
| PubChem CID | 158426548 |
| Molecular Formula | C138H119ClF10N12O15 |
| Molecular Weight | 2410.97 g/mol |
| Exact Mass | 2408.84 |
| IUPAC Name | 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one |
| SMILES | COc1ccc(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)cc1C(C)(F)F.Cc1ccc(N2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)nc1.Cc1cccc(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)c1F.O=C1CCCc2nc(OCc3cccc(Cl)c3)ccc21.O=C1CCCc2nc(OCc3cccc(F)c3)ccc21.O=C1CCCc2nc(OCc3ccccc3F)ccc21.O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1c1cccc(F)c1 |
| InChI | InChI=1S/C25H23F3N2O3.C23H20F2N2O2.C21H16F2N2O2.C21H18FN3O2.C16H14ClNO2.2C16H14FNO2/c1-25(27,28)20-13-16(6-8-22(20)32-2)14-30-11-10-21-19(24(30)31)7-9-23(29-21)33-15-17-4-3-5-18(26)12-17;1-15-4-2-6-17(22(15)25)13-27-11-10-20-19(23(27)28)8-9-21(26-20)29-14-16-5-3-7-18(24)12-16;22-15-4-1-3-14(11-15)13-27-20-8-7-18-19(24-20)9-10-25(21(18)26)17-6-2-5-16(23)12-17;1-14-5-7-19(23-12-14)25-10-9-18-17(21(25)26)6-8-20(24-18)27-13-15-3-2-4-16(22)11-15;2*17-12-4-1-3-11(9-12)10-20-16-8-7-13-14(18-16)5-2-6-15(13)19;17-13-5-2-1-4-11(13)10-20-16-9-8-12-14(18-16)6-3-7-15(12)19/h3-9,12-13H,10-11,14-15H2,1-2H3;2-9,12H,10-11,13-14H2,1H3;1-8,11-12H,9-10,13H2;2-8,11-12H,9-10,13H2,1H3;2*1,3-4,7-9H,2,5-6,10H2;1-2,4-5,8-9H,3,6-7,10H2 |
| InChIKey | HBCSMOWOTYDDEH-UHFFFAOYSA-N |
| XLogP | 27.88 |
| TPSA | 309.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 176 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2410.97 |
| LogP ≤ 5 | 27.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 158426548) is 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one is COc1ccc(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)cc1C(C)(F)F.Cc1ccc(N2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)nc1.Cc1cccc(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)c1F.O=C1CCCc2nc(OCc3cccc(Cl)c3)ccc21.O=C1CCCc2nc(OCc3cccc(F)c3)ccc21.O=C1CCCc2nc(OCc3ccccc3F)ccc21.O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1c1cccc(F)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is HBCSMOWOTYDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3.C23H20F2N2O2.C21H16F2N2O2.C21H18FN3O2.C16H14ClNO2.2C16H14FNO2/c1-25(27,28)20-13-16(6-8-22(20)32-2)14-30-11-10-21-19(24(30)31)7-9-23(29-21)33-15-17-4-3-5-18(26)12-17;1-15-4-2-6-17(22(15)25)13-27-11-10-20-19(23(27)28)8-9-21(26-20)29-14-16-5-3-7-18(24)12-16;22-15-4-1-3-14(11-15)13-27-20-8-7-18-19(24-20)9-10-25(21(18)26)17-6-2-5-16(23)12-17;1-14-5-7-19(23-12-14)25-10-9-18-17(21(25)26)6-8-20(24-18)27-13-15-3-2-4-16(22)11-15;2*17-12-4-1-3-11(9-12)10-20-16-8-7-13-14(18-16)5-2-6-15(13)19;17-13-5-2-1-4-11(13)10-20-16-9-8-12-14(18-16)6-3-7-15(12)19/h3-9,12-13H,10-11,14-15H2,1-2H3;2-9,12H,10-11,13-14H2,1H3;1-8,11-12H,9-10,13H2;2-8,11-12H,9-10,13H2,1H3;2*1,3-4,7-9H,2,5-6,10H2;1-2,4-5,8-9H,3,6-7,10H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one?
2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 2410.97 g/mol, XLogP of 27.88, 29 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;6-[[3-(1,1-difluoroethyl)-4-methoxyphenyl]methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-[(2-fluoro-3-methylphenyl)methyl]-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;6-(3-fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one;2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-quinolin-5-one;2-[(3-fluorophenyl)methoxy]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 158426548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158426548 — identifiers, structure, computed properties (public domain)
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