4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one
C165H120Cl6N20O6S3 — CID 158843452
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O.CSc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O.O=c1cc(Nc2ccccc2)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1cc(Sc2ccccc2)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(NC3CCCC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(SC3CCCC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C29H19ClN4O.C29H18ClN3OS.C28H23ClN4O.C28H22ClN3OS.C26H20ClN3O.C25H18ClN3OS/c30-24-15-20(14-19-10-7-13-31-28(19)24)22-16-23-25(32-21-11-5-2-6-12-21)17-26(35)33-29(23)34-27(22)18-8-3-1-4-9-18;30-24-15-20(14-19-10-7-13-31-28(19)24)22-16-23-25(35-21-11-5-2-6-12-21)17-26(34)32-29(23)33-27(22)18-8-3-1-4-9-18;29-22-16-19(15-18-9-6-14-30-25(18)22)24-26(17-7-2-1-3-8-17)33-28-21(12-13-23(34)32-28)27(24)31-20-10-4-5-11-20;29-22-16-19(15-18-9-6-14-30-25(18)22)24-26(17-7-2-1-3-8-17)32-28-21(12-13-23(33)31-28)27(24)34-20-10-4-5-11-20;1-3-16-13-20-15(2)22(19-12-18-10-7-11-28-23(18)21(27)14-19)24(17-8-5-4-6-9-17)29-25(20)30-26(16)31;1-14-18-13-20(31-2)25(30)29-24(18)28-23(15-7-4-3-5-8-15)21(14)17-11-16-9-6-10-27-22(16)19(26)12-17/h1-17H,(H2,32,33,34,35);1-17H,(H,32,33,34);1-3,6-9,12-16,20H,4-5,10-11H2,(H2,31,32,33,34);1-3,6-9,12-16,20H,4-5,10-11H2,(H,31,32,33);4-14H,3H2,1-2H3,(H,29,30,31);3-13H,1-2H3,(H,28,29,30)
InChIKeyIYNOARJSWJXICC-UHFFFAOYSA-N
MW2787.83 g/mol
LogP41.94
Rot. Bonds22
About 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one
4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one (PubChem CID 158843452) has the molecular formula C165H120Cl6N20O6S3 and a molecular weight of 2787.83 g/mol. Its IUPAC name is 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one.
Molecular Properties
| Compound Name | 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one |
|---|---|
| PubChem CID | 158843452 |
| Molecular Formula | C165H120Cl6N20O6S3 |
| Molecular Weight | 2787.83 g/mol |
| Exact Mass | 2782.70 |
| IUPAC Name | 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one |
| SMILES | CCc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O.CSc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O.O=c1cc(Nc2ccccc2)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1cc(Sc2ccccc2)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(NC3CCCC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(SC3CCCC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1 |
| InChI | InChI=1S/C29H19ClN4O.C29H18ClN3OS.C28H23ClN4O.C28H22ClN3OS.C26H20ClN3O.C25H18ClN3OS/c30-24-15-20(14-19-10-7-13-31-28(19)24)22-16-23-25(32-21-11-5-2-6-12-21)17-26(35)33-29(23)34-27(22)18-8-3-1-4-9-18;30-24-15-20(14-19-10-7-13-31-28(19)24)22-16-23-25(35-21-11-5-2-6-12-21)17-26(34)32-29(23)33-27(22)18-8-3-1-4-9-18;29-22-16-19(15-18-9-6-14-30-25(18)22)24-26(17-7-2-1-3-8-17)33-28-21(12-13-23(34)32-28)27(24)31-20-10-4-5-11-20;29-22-16-19(15-18-9-6-14-30-25(18)22)24-26(17-7-2-1-3-8-17)32-28-21(12-13-23(33)31-28)27(24)34-20-10-4-5-11-20;1-3-16-13-20-15(2)22(19-12-18-10-7-11-28-23(18)21(27)14-19)24(17-8-5-4-6-9-17)29-25(20)30-26(16)31;1-14-18-13-20(31-2)25(30)29-24(18)28-23(15-7-4-3-5-8-15)21(14)17-11-16-9-6-10-27-22(16)19(26)12-17/h1-17H,(H2,32,33,34,35);1-17H,(H,32,33,34);1-3,6-9,12-16,20H,4-5,10-11H2,(H2,31,32,33,34);1-3,6-9,12-16,20H,4-5,10-11H2,(H,31,32,33);4-14H,3H2,1-2H3,(H,29,30,31);3-13H,1-2H3,(H,28,29,30) |
| InChIKey | IYNOARJSWJXICC-UHFFFAOYSA-N |
| XLogP | 41.94 |
| TPSA | 375.90 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 200 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2787.83 |
| LogP ≤ 5 | 41.94 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one (CID 158843452) is 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one is CCc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O.CSc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]c1=O.O=c1cc(Nc2ccccc2)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1cc(Sc2ccccc2)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(NC3CCCC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(SC3CCCC3)c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
The InChIKey is IYNOARJSWJXICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClN4O.C29H18ClN3OS.C28H23ClN4O.C28H22ClN3OS.C26H20ClN3O.C25H18ClN3OS/c30-24-15-20(14-19-10-7-13-31-28(19)24)22-16-23-25(32-21-11-5-2-6-12-21)17-26(35)33-29(23)34-27(22)18-8-3-1-4-9-18;30-24-15-20(14-19-10-7-13-31-28(19)24)22-16-23-25(35-21-11-5-2-6-12-21)17-26(34)32-29(23)33-27(22)18-8-3-1-4-9-18;29-22-16-19(15-18-9-6-14-30-25(18)22)24-26(17-7-2-1-3-8-17)33-28-21(12-13-23(34)32-28)27(24)31-20-10-4-5-11-20;29-22-16-19(15-18-9-6-14-30-25(18)22)24-26(17-7-2-1-3-8-17)32-28-21(12-13-23(33)31-28)27(24)34-20-10-4-5-11-20;1-3-16-13-20-15(2)22(19-12-18-10-7-11-28-23(18)21(27)14-19)24(17-8-5-4-6-9-17)29-25(20)30-26(16)31;1-14-18-13-20(31-2)25(30)29-24(18)28-23(15-7-4-3-5-8-15)21(14)17-11-16-9-6-10-27-22(16)19(26)12-17/h1-17H,(H2,32,33,34,35);1-17H,(H,32,33,34);1-3,6-9,12-16,20H,4-5,10-11H2,(H2,31,32,33,34);1-3,6-9,12-16,20H,4-5,10-11H2,(H,31,32,33);4-14H,3H2,1-2H3,(H,29,30,31);3-13H,1-2H3,(H,28,29,30).
What are the key properties of 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one has a molecular weight of 2787.83 g/mol, XLogP of 41.94, 22 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-(cyclopentylamino)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-cyclopentylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-3-ethyl-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-phenyl-4-phenylsulfanyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 158843452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158843452 — identifiers, structure, computed properties (public domain)
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