2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen

C110H101ClF3N17O5 — CID 158146484

About 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen

2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen (PubChem CID 158146484) has the molecular formula C110H101ClF3N17O5 and a molecular weight of 1833.58 g/mol. Its IUPAC name is 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen.

Molecular Properties

• Compound Name: 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
• PubChem CID: 158146484
• Molecular Formula: C110H101ClF3N17O5
• Molecular Weight: 1833.58 g/mol
• Exact Mass: 1831.78
• IUPAC Name: 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
• SMILES: Cc1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(Cl)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(CN3CCNCC3)c12.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H25N5O.C22H19N3O.C21H16ClN3O.C21H14F3N3O.C21H17N3O.5H2/c31-22-17-23(28-20-7-3-1-4-8-20)30(21-9-5-2-6-10-21)25-24(22)19(11-12-27-25)18-29-15-13-26-14-16-29;1-15-13-16(2)23-22-21(15)19(26)14-20(24-17-9-5-3-6-10-17)25(22)18-11-7-4-8-12-18;1-14-12-17(22)20-18(26)13-19(24-15-8-4-2-5-9-15)25(21(20)23-14)16-10-6-3-7-11-16;22-21(23,24)16-11-12-25-20-19(16)17(28)13-18(26-14-7-3-1-4-8-14)27(20)15-9-5-2-6-10-15;1-15-12-13-22-21-20(15)18(25)14-19(23-16-8-4-2-5-9-16)24(21)17-10-6-3-7-11-17;;;;;/h1-12,17,26,28H,13-16,18H2;3-14,24H,1-2H3;2-13,24H,1H3;1-13,26H;2-14,23H,1H3;5*1H
• InChIKey: FUORQBHELOBKKJ-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 249.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1833.58
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?

The IUPAC name of 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen (CID 158146484) is 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen.

What is the SMILES notation for 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?

The canonical SMILES for 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen is Cc1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(Cl)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(CN3CCNCC3)c12.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?

The InChIKey is FUORQBHELOBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O.C22H19N3O.C21H16ClN3O.C21H14F3N3O.C21H17N3O.5H2/c31-22-17-23(28-20-7-3-1-4-8-20)30(21-9-5-2-6-10-21)25-24(22)19(11-12-27-25)18-29-15-13-26-14-16-29;1-15-13-16(2)23-22-21(15)19(26)14-20(24-17-9-5-3-6-10-17)25(22)18-11-7-4-8-12-18;1-14-12-17(22)20-18(26)13-19(24-15-8-4-2-5-9-15)25(21(20)23-14)16-10-6-3-7-11-16;22-21(23,24)16-11-12-25-20-19(16)17(28)13-18(26-14-7-3-1-4-8-14)27(20)15-9-5-2-6-10-15;1-15-12-13-22-21-20(15)18(25)14-19(23-16-8-4-2-5-9-16)24(21)17-10-6-3-7-11-17;;;;;/h1-12,17,26,28H,13-16,18H2;3-14,24H,1-2H3;2-13,24H,1H3;1-13,26H;2-14,23H,1H3;5*1H.

What are the key properties of 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?

2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen has a molecular weight of 1833.58 g/mol, XLogP of 24.19, 17 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-5-chloro-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(piperazin-1-ylmethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen is sourced from PubChem (CID 158146484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).