6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one
C163H116Cl6N26O6 — CID 158167248
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one
SMILESCN1CC(c2c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc3[nH]ccc(=O)c23)C1.CN1CCN(c2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]2)CC1.O=c1c(-c2ccn[nH]2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1c(N2CCCC2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc(-c2cccnc2)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)c(-n3cccc3)c12
InChIInChI=1S/C28H24ClN5O.C28H17ClN4O.C27H21ClN4O.C27H17ClN4O.C27H21ClN4O.C26H16ClN5O/c1-33-10-12-34(13-11-33)25-17-24(35)22-16-21(20-14-19-8-5-9-30-27(19)23(29)15-20)26(32-28(22)31-25)18-6-3-2-4-7-18;29-23-13-20(12-18-8-5-11-31-27(18)23)21-14-22-25(34)15-24(19-9-4-10-30-16-19)32-28(22)33-26(21)17-6-2-1-3-7-17;1-32-14-19(15-32)22-23(18-12-17-8-5-10-29-25(17)20(28)13-18)26(16-6-3-2-4-7-16)31-27-24(22)21(33)9-11-30-27;28-20-16-19(15-18-9-6-11-29-24(18)20)22-25(17-7-2-1-3-8-17)31-27-23(21(33)10-12-30-27)26(22)32-13-4-5-14-32;28-22-14-19(13-18-9-6-10-29-25(18)22)20-15-21-26(33)23(32-11-4-5-12-32)16-30-27(21)31-24(20)17-7-2-1-3-8-17;27-21-12-17(11-16-7-4-9-28-24(16)21)18-13-19-25(33)20(22-8-10-30-32-22)14-29-26(19)31-23(18)15-5-2-1-3-6-15/h2-9,14-17H,10-13H2,1H3,(H,31,32,35);1-16H,(H,32,33,34);2-13,19H,14-15H2,1H3,(H,30,31,33);1-16H,(H,30,31,33);1-3,6-10,13-16H,4-5,11-12H2,(H,30,31,33);1-14H,(H,30,32)(H,29,31,33)
InChIKeyFWZOVKVRYIDZJU-UHFFFAOYSA-N
MW2747.61 g/mol
LogP35.38
Rot. Bonds18
About 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one
6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one (PubChem CID 158167248) has the molecular formula C163H116Cl6N26O6 and a molecular weight of 2747.61 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one.
Molecular Properties
| Compound Name | 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one |
|---|---|
| PubChem CID | 158167248 |
| Molecular Formula | C163H116Cl6N26O6 |
| Molecular Weight | 2747.61 g/mol |
| Exact Mass | 2742.77 |
| IUPAC Name | 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one |
| SMILES | CN1CC(c2c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc3[nH]ccc(=O)c23)C1.CN1CCN(c2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]2)CC1.O=c1c(-c2ccn[nH]2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1c(N2CCCC2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc(-c2cccnc2)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)c(-n3cccc3)c12 |
| InChI | InChI=1S/C28H24ClN5O.C28H17ClN4O.C27H21ClN4O.C27H17ClN4O.C27H21ClN4O.C26H16ClN5O/c1-33-10-12-34(13-11-33)25-17-24(35)22-16-21(20-14-19-8-5-9-30-27(19)23(29)15-20)26(32-28(22)31-25)18-6-3-2-4-7-18;29-23-13-20(12-18-8-5-11-31-27(18)23)21-14-22-25(34)15-24(19-9-4-10-30-16-19)32-28(22)33-26(21)17-6-2-1-3-7-17;1-32-14-19(15-32)22-23(18-12-17-8-5-10-29-25(17)20(28)13-18)26(16-6-3-2-4-7-16)31-27-24(22)21(33)9-11-30-27;28-20-16-19(15-18-9-6-11-29-24(18)20)22-25(17-7-2-1-3-8-17)31-27-23(21(33)10-12-30-27)26(22)32-13-4-5-14-32;28-22-14-19(13-18-9-6-10-29-25(18)22)20-15-21-26(33)23(32-11-4-5-12-32)16-30-27(21)31-24(20)17-7-2-1-3-8-17;27-21-12-17(11-16-7-4-9-28-24(16)21)18-13-19-25(33)20(22-8-10-30-32-22)14-29-26(19)31-23(18)15-5-2-1-3-6-15/h2-9,14-17H,10-13H2,1H3,(H,31,32,35);1-16H,(H,32,33,34);2-13,19H,14-15H2,1H3,(H,30,31,33);1-16H,(H,30,31,33);1-3,6-10,13-16H,4-5,11-12H2,(H,30,31,33);1-14H,(H,30,32)(H,29,31,33) |
| InChIKey | FWZOVKVRYIDZJU-UHFFFAOYSA-N |
| XLogP | 35.38 |
| TPSA | 411.30 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 201 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2747.61 |
| LogP ≤ 5 | 35.38 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one (CID 158167248) is 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one is CN1CC(c2c(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc3[nH]ccc(=O)c23)C1.CN1CCN(c2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]2)CC1.O=c1c(-c2ccn[nH]2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1c(N2CCCC2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc(-c2cccnc2)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)c(-n3cccc3)c12.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is FWZOVKVRYIDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O.C28H17ClN4O.C27H21ClN4O.C27H17ClN4O.C27H21ClN4O.C26H16ClN5O/c1-33-10-12-34(13-11-33)25-17-24(35)22-16-21(20-14-19-8-5-9-30-27(19)23(29)15-20)26(32-28(22)31-25)18-6-3-2-4-7-18;29-23-13-20(12-18-8-5-11-31-27(18)23)21-14-22-25(34)15-24(19-9-4-10-30-16-19)32-28(22)33-26(21)17-6-2-1-3-7-17;1-32-14-19(15-32)22-23(18-12-17-8-5-10-29-25(17)20(28)13-18)26(16-6-3-2-4-7-16)31-27-24(22)21(33)9-11-30-27;28-20-16-19(15-18-9-6-11-29-24(18)20)22-25(17-7-2-1-3-8-17)31-27-23(21(33)10-12-30-27)26(22)32-13-4-5-14-32;28-22-14-19(13-18-9-6-10-29-25(18)22)20-15-21-26(33)23(32-11-4-5-12-32)16-30-27(21)31-24(20)17-7-2-1-3-8-17;27-21-12-17(11-16-7-4-9-28-24(16)21)18-13-19-25(33)20(22-8-10-30-32-22)14-29-26(19)31-23(18)15-5-2-1-3-6-15/h2-9,14-17H,10-13H2,1H3,(H,31,32,35);1-16H,(H,32,33,34);2-13,19H,14-15H2,1H3,(H,30,31,33);1-16H,(H,30,31,33);1-3,6-10,13-16H,4-5,11-12H2,(H,30,31,33);1-14H,(H,30,32)(H,29,31,33).
What are the key properties of 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 2747.61 g/mol, XLogP of 35.38, 18 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-2-pyridin-3-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-3-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-5-pyrrol-1-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 158167248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158167248 — identifiers, structure, computed properties (public domain)
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