6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one

C135H100Cl6N18O6 — CID 157255042

About 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one (PubChem CID 157255042) has the molecular formula C135H100Cl6N18O6 and a molecular weight of 2283.12 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one
• PubChem CID: 157255042
• Molecular Formula: C135H100Cl6N18O6
• Molecular Weight: 2283.12 g/mol
• Exact Mass: 2278.62
• IUPAC Name: 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one
• SMILES: C#CCc1c[nH]c2nc(-c3ccccc3)c(-c3cc(C)nc(Cl)c3)cc2c1=O.C#Cc1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]c(C)cc(=O)c12.C=C(C)c1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12.C=CCc1c[nH]c2nc(-c3ccccc3)c(-c3cc(C)nc(Cl)c3)cc2c1=O.C=Cc1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3ccccc3)nc2[nH]1.Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C)cc(Cl)n1
• InChI: InChI=1S/C23H18ClN3O.C23H16ClN3O.C23H18ClN3O.C23H16ClN3O.C22H16ClN3O.C21H16ClN3O/c1-13(2)19-20(16-11-14(3)26-18(24)12-16)22(15-7-5-4-6-8-15)27-23-21(19)17(28)9-10-25-23;1-4-17-20(16-10-13(2)25-19(24)12-16)22(15-8-6-5-7-9-15)27-23-21(17)18(28)11-14(3)26-23;2*1-3-7-16-13-25-23-19(22(16)28)12-18(17-10-14(2)26-20(24)11-17)21(27-23)15-8-5-4-6-9-15;1-3-16-11-19(27)18-12-17(15-9-13(2)24-20(23)10-15)21(26-22(18)25-16)14-7-5-4-6-8-14;1-12-10-15(11-17(22)24-12)18-13(2)19-16(26)8-9-23-21(19)25-20(18)14-6-4-3-5-7-14/h4-12H,1H2,2-3H3,(H,25,27,28);1,5-12H,2-3H3,(H,26,27,28);3-6,8-13H,1,7H2,2H3,(H,25,27,28);1,4-6,8-13H,7H2,2H3,(H,25,27,28);3-12H,1H2,2H3,(H,25,26,27);3-11H,1-2H3,(H,23,25,26)
• InChIKey: AWUFBRSRBXWNRT-UHFFFAOYSA-N
• XLogP: 30.86
• TPSA: 351.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2283.12
LogP ≤ 5	30.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one (CID 157255042) is 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one is C#CCc1c[nH]c2nc(-c3ccccc3)c(-c3cc(C)nc(Cl)c3)cc2c1=O.C#Cc1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]c(C)cc(=O)c12.C=C(C)c1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12.C=CCc1c[nH]c2nc(-c3ccccc3)c(-c3cc(C)nc(Cl)c3)cc2c1=O.C=Cc1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3ccccc3)nc2[nH]1.Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C)cc(Cl)n1.

What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one?

The InChIKey is AWUFBRSRBXWNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O.C23H16ClN3O.C23H18ClN3O.C23H16ClN3O.C22H16ClN3O.C21H16ClN3O/c1-13(2)19-20(16-11-14(3)26-18(24)12-16)22(15-7-5-4-6-8-15)27-23-21(19)17(28)9-10-25-23;1-4-17-20(16-10-13(2)25-19(24)12-16)22(15-8-6-5-7-9-15)27-23-21(17)18(28)11-14(3)26-23;2*1-3-7-16-13-25-23-19(22(16)28)12-18(17-10-14(2)26-20(24)11-17)21(27-23)15-8-5-4-6-9-15;1-3-16-11-19(27)18-12-17(15-9-13(2)24-20(23)10-15)21(26-22(18)25-16)14-7-5-4-6-8-14;1-12-10-15(11-17(22)24-12)18-13(2)19-16(26)8-9-23-21(19)25-20(18)14-6-4-3-5-7-14/h4-12H,1H2,2-3H3,(H,25,27,28);1,5-12H,2-3H3,(H,26,27,28);3-6,8-13H,1,7H2,2H3,(H,25,27,28);1,4-6,8-13H,7H2,2H3,(H,25,27,28);3-12H,1H2,2H3,(H,25,26,27);3-11H,1-2H3,(H,23,25,26).

What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one?

6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one has a molecular weight of 2283.12 g/mol, XLogP of 30.86, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-6-methyl-4-pyridinyl)-2-ethenyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-ethynyl-2-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-enyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-prop-1-en-2-yl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-prop-2-ynyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 157255042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).