1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea

C126H111Cl4F7N20O10 — CID 158937287

About 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea

1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 158937287) has the molecular formula C126H111Cl4F7N20O10 and a molecular weight of 2340.20 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea
• PubChem CID: 158937287
• Molecular Formula: C126H111Cl4F7N20O10
• Molecular Weight: 2340.20 g/mol
• Exact Mass: 2336.74
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea
• SMILES: Cc1cc2c(cn1)cc(-c1cc(NC(=O)NCc3ccc(Cl)c(Cl)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)NCc3ccc(Cl)cc3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1ccc(CNC(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cc1
• InChI: InChI=1S/C26H26N4O2.C25H22Cl2N4O2.C25H20ClF3N4O2.C25H23ClN4O2.C25H20F4N4O2/c1-16-5-8-19(9-6-16)14-28-26(32)29-21-10-7-17(2)22(13-21)23-12-20-15-27-18(3)11-24(20)30(4)25(23)31;1-14-4-6-18(30-25(33)29-12-16-5-7-21(26)22(27)9-16)11-19(14)20-10-17-13-28-15(2)8-23(17)31(3)24(20)32;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-15-4-9-20(29-25(32)28-13-17-5-7-19(26)8-6-17)12-21(15)22-11-18-14-27-16(2)10-23(18)30(3)24(22)31;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34/h5-13,15H,14H2,1-4H3,(H2,28,29,32);4-11,13H,12H2,1-3H3,(H2,29,30,33);4-12H,1-3H3,(H2,31,32,35);4-12,14H,13H2,1-3H3,(H2,28,29,32);4-12H,1-3H3,(H2,31,32,35)
• InChIKey: JJUQXODEZFLQPJ-UHFFFAOYSA-N
• XLogP: 28.44
• TPSA: 380.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2340.20
LogP ≤ 5	28.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea (CID 158937287) is 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea is Cc1cc2c(cn1)cc(-c1cc(NC(=O)NCc3ccc(Cl)c(Cl)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)NCc3ccc(Cl)cc3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1ccc(CNC(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cc1.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea?

The InChIKey is JJUQXODEZFLQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.C25H22Cl2N4O2.C25H20ClF3N4O2.C25H23ClN4O2.C25H20F4N4O2/c1-16-5-8-19(9-6-16)14-28-26(32)29-21-10-7-17(2)22(13-21)23-12-20-15-27-18(3)11-24(20)30(4)25(23)31;1-14-4-6-18(30-25(33)29-12-16-5-7-21(26)22(27)9-16)11-19(14)20-10-17-13-28-15(2)8-23(17)31(3)24(20)32;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-15-4-9-20(29-25(32)28-13-17-5-7-19(26)8-6-17)12-21(15)22-11-18-14-27-16(2)10-23(18)30(3)24(22)31;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34/h5-13,15H,14H2,1-4H3,(H2,28,29,32);4-11,13H,12H2,1-3H3,(H2,29,30,33);4-12H,1-3H3,(H2,31,32,35);4-12,14H,13H2,1-3H3,(H2,28,29,32);4-12H,1-3H3,(H2,31,32,35).

What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea?

1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 2340.20 g/mol, XLogP of 28.44, 18 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[(3,4-dichlorophenyl)methyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 158937287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).