6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C133H84Cl2N20O7 — CID 161476195

About 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 161476195) has the molecular formula C133H84Cl2N20O7 and a molecular weight of 2145.17 g/mol. Its IUPAC name is 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• PubChem CID: 161476195
• Molecular Formula: C133H84Cl2N20O7
• Molecular Weight: 2145.17 g/mol
• Exact Mass: 2142.62
• IUPAC Name: 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• SMILES: O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4nc[nH]c4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ccccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4nccnc4c3)cc12.O=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccncc3)c(-c3ccc4ncccc4c3)cc12
• InChI: InChI=1S/C24H16N2O.C23H14ClN3O.2C22H14N4O.C21H13ClN4O.C21H13N3O2/c27-22-12-13-25-24-21(22)15-20(23(26-24)17-7-2-1-3-8-17)19-11-10-16-6-4-5-9-18(16)14-19;24-19-12-16(11-15-7-4-9-25-22(15)19)17-13-18-20(28)8-10-26-23(18)27-21(17)14-5-2-1-3-6-14;27-20-7-11-25-22-18(20)13-17(21(26-22)14-5-9-23-10-6-14)15-3-4-19-16(12-15)2-1-8-24-19;27-20-8-9-25-22-17(20)13-16(21(26-22)14-4-2-1-3-5-14)15-6-7-18-19(12-15)24-11-10-23-18;22-16-8-13(9-17-20(16)25-11-24-17)14-10-15-18(27)6-7-23-21(15)26-19(14)12-4-2-1-3-5-12;25-18-7-9-23-21-16(18)12-15(20(24-21)19-4-2-10-26-19)13-5-6-17-14(11-13)3-1-8-22-17/h1-15H,(H,25,26,27);1-13H,(H,26,27,28);2*1-13H,(H,25,26,27);1-11H,(H,24,25)(H,23,26,27);1-12H,(H,23,24,25)
• InChIKey: WDTARFFBMQVXDH-UHFFFAOYSA-N
• XLogP: 28.45
• TPSA: 393.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.17
LogP ≤ 5	28.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 161476195) is 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4nc[nH]c4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ccccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4nccnc4c3)cc12.O=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccncc3)c(-c3ccc4ncccc4c3)cc12.

What is the InChIKey of 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

The InChIKey is WDTARFFBMQVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O.C23H14ClN3O.2C22H14N4O.C21H13ClN4O.C21H13N3O2/c27-22-12-13-25-24-21(22)15-20(23(26-24)17-7-2-1-3-8-17)19-11-10-16-6-4-5-9-18(16)14-19;24-19-12-16(11-15-7-4-9-25-22(15)19)17-13-18-20(28)8-10-26-23(18)27-21(17)14-5-2-1-3-6-14;27-20-7-11-25-22-18(20)13-17(21(26-22)14-5-9-23-10-6-14)15-3-4-19-16(12-15)2-1-8-24-19;27-20-8-9-25-22-17(20)13-16(21(26-22)14-4-2-1-3-5-14)15-6-7-18-19(12-15)24-11-10-23-18;22-16-8-13(9-17-20(16)25-11-24-17)14-10-15-18(27)6-7-23-21(15)26-19(14)12-4-2-1-3-5-12;25-18-7-9-23-21-16(18)12-15(20(24-21)19-4-2-10-26-19)13-5-6-17-14(11-13)3-1-8-22-17/h1-15H,(H,25,26,27);1-13H,(H,26,27,28);2*1-13H,(H,25,26,27);1-11H,(H,24,25)(H,23,26,27);1-12H,(H,23,24,25).

What are the key properties of 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 2145.17 g/mol, XLogP of 28.45, 12 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-chloro-3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(furan-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-naphthalen-2-yl-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;7-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 161476195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).