N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)

C122H116Cl3N35O3 — CID 157288603

About N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)

N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine) (PubChem CID 157288603) has the molecular formula C122H116Cl3N35O3 and a molecular weight of 2226.87 g/mol. Its IUPAC name is N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine).

Molecular Properties

• Compound Name: N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)
• PubChem CID: 157288603
• Molecular Formula: C122H116Cl3N35O3
• Molecular Weight: 2226.87 g/mol
• Exact Mass: 2223.91
• IUPAC Name: N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)
• SMILES: CN(C)CCc1nc(-c2cccc3c2nc(Nc2ccccc2Cl)c2ccncc23)n[nH]1.CN(C)Cc1nc(-c2cccc3c2nc(Nc2ccccc2Cl)c2ccncc23)n[nH]1.Cc1nc(-c2cccc3c2nc(Nc2ccc(OCCN(C)C)cc2)c2ccncc23)n[nH]1.Cc1nc(-c2cccc3c2nc(Nc2ccc(OCCN(C)C)cc2)c2ccncc23)n[nH]1.Cc1nc(-c2cccc3c2nc(Nc2ccc(OCCN(C)C)cc2Cl)c2ccncc23)n[nH]1
• InChI: InChI=1S/C25H24ClN7O.2C25H25N7O.C24H22ClN7.C23H20ClN7/c1-15-28-25(32-31-15)19-6-4-5-17-20-14-27-10-9-18(20)24(30-23(17)19)29-22-8-7-16(13-21(22)26)34-12-11-33(2)3;2*1-16-27-25(31-30-16)21-6-4-5-19-22-15-26-12-11-20(22)24(29-23(19)21)28-17-7-9-18(10-8-17)33-14-13-32(2)3;1-32(2)13-11-21-28-24(31-30-21)17-7-5-6-15-18-14-26-12-10-16(18)23(29-22(15)17)27-20-9-4-3-8-19(20)25;1-31(2)13-20-27-23(30-29-20)16-7-5-6-14-17-12-25-11-10-15(17)22(28-21(14)16)26-19-9-4-3-8-18(19)24/h4-10,13-14H,11-12H2,1-3H3,(H,29,30)(H,28,31,32);2*4-12,15H,13-14H2,1-3H3,(H,28,29)(H,27,30,31);3-10,12,14H,11,13H2,1-2H3,(H,27,29)(H,28,30,31);3-12H,13H2,1-2H3,(H,26,28)(H,27,29,30)
• InChIKey: BANKDANUZQRJKL-UHFFFAOYSA-N
• XLogP: 24.43
• TPSA: 440.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2226.87
LogP ≤ 5	24.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)?

The IUPAC name of N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine) (CID 157288603) is N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine).

What is the SMILES notation for N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)?

The canonical SMILES for N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine) is CN(C)CCc1nc(-c2cccc3c2nc(Nc2ccccc2Cl)c2ccncc23)n[nH]1.CN(C)Cc1nc(-c2cccc3c2nc(Nc2ccccc2Cl)c2ccncc23)n[nH]1.Cc1nc(-c2cccc3c2nc(Nc2ccc(OCCN(C)C)cc2)c2ccncc23)n[nH]1.Cc1nc(-c2cccc3c2nc(Nc2ccc(OCCN(C)C)cc2)c2ccncc23)n[nH]1.Cc1nc(-c2cccc3c2nc(Nc2ccc(OCCN(C)C)cc2Cl)c2ccncc23)n[nH]1.

What is the InChIKey of N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)?

The InChIKey is BANKDANUZQRJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O.2C25H25N7O.C24H22ClN7.C23H20ClN7/c1-15-28-25(32-31-15)19-6-4-5-17-20-14-27-10-9-18(20)24(30-23(17)19)29-22-8-7-16(13-21(22)26)34-12-11-33(2)3;2*1-16-27-25(31-30-16)21-6-4-5-19-22-15-26-12-11-20(22)24(29-23(19)21)28-17-7-9-18(10-8-17)33-14-13-32(2)3;1-32(2)13-11-21-28-24(31-30-21)17-7-5-6-15-18-14-26-12-10-16(18)23(29-22(15)17)27-20-9-4-3-8-19(20)25;1-31(2)13-20-27-23(30-29-20)16-7-5-6-14-17-12-25-11-10-15(17)22(28-21(14)16)26-19-9-4-3-8-18(19)24/h4-10,13-14H,11-12H2,1-3H3,(H,29,30)(H,28,31,32);2*4-12,15H,13-14H2,1-3H3,(H,28,29)(H,27,30,31);3-10,12,14H,11,13H2,1-2H3,(H,27,29)(H,28,30,31);3-12H,13H2,1-2H3,(H,26,28)(H,27,29,30).

What are the key properties of N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)?

N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine) has a molecular weight of 2226.87 g/mol, XLogP of 24.43, 32 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine) is sourced from PubChem (CID 157288603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).