N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C129H122Cl2F2N36O4 — CID 161231637

About N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 161231637) has the molecular formula C129H122Cl2F2N36O4 and a molecular weight of 2349.54 g/mol. Its IUPAC name is N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

• Compound Name: N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
• PubChem CID: 161231637
• Molecular Formula: C129H122Cl2F2N36O4
• Molecular Weight: 2349.54 g/mol
• Exact Mass: 2346.98
• IUPAC Name: N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
• SMILES: CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)c(F)c1.CN1CCN(c2ccc(Nc3nc4c(-c5ncn[nH]5)cccc4c4cnccc34)c(Cl)c2)CC1.Clc1cc(OCCN2CCCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.c1cc(-c2ncn[nH]2)c2nc(Nc3ccc(OCCN4CCCCC4)cc3)c3ccncc3c2c1
• InChI: InChI=1S/C27H26ClN7O.C27H27N7O.C26H24FN7O.C25H23ClN8.C24H22FN7O/c28-23-15-18(36-14-13-35-11-2-1-3-12-35)7-8-24(23)32-27-20-9-10-29-16-22(20)19-5-4-6-21(25(19)33-27)26-30-17-31-34-26;1-2-13-34(14-3-1)15-16-35-20-9-7-19(8-10-20)31-27-22-11-12-28-17-24(22)21-5-4-6-23(25(21)32-27)26-29-18-30-33-26;27-22-14-17(35-13-12-34-10-1-2-11-34)6-7-23(22)31-26-19-8-9-28-15-21(19)18-4-3-5-20(24(18)32-26)25-29-16-30-33-25;1-33-9-11-34(12-10-33)16-5-6-22(21(26)13-16)30-25-18-7-8-27-14-20(18)17-3-2-4-19(23(17)31-25)24-28-15-29-32-24;1-32(2)10-11-33-15-6-7-21(20(25)12-15)29-24-17-8-9-26-13-19(17)16-4-3-5-18(22(16)30-24)23-27-14-28-31-23/h4-10,15-17H,1-3,11-14H2,(H,32,33)(H,30,31,34);4-12,17-18H,1-3,13-16H2,(H,31,32)(H,29,30,33);3-9,14-16H,1-2,10-13H2,(H,31,32)(H,29,30,33);2-8,13-15H,9-12H2,1H3,(H,30,31)(H,28,29,32);3-9,12-14H,10-11H2,1-2H3,(H,29,30)(H,27,28,31)
• InChIKey: UYVBJJAGRAURJZ-UHFFFAOYSA-N
• XLogP: 25.04
• TPSA: 453.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.54
LogP ≤ 5	25.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

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-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?

The IUPAC name of N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 161231637) is N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

What is the SMILES notation for N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?

The canonical SMILES for N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)c(F)c1.CN1CCN(c2ccc(Nc3nc4c(-c5ncn[nH]5)cccc4c4cnccc34)c(Cl)c2)CC1.Clc1cc(OCCN2CCCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.c1cc(-c2ncn[nH]2)c2nc(Nc3ccc(OCCN4CCCCC4)cc3)c3ccncc3c2c1.

What is the InChIKey of N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?

The InChIKey is UYVBJJAGRAURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O.C27H27N7O.C26H24FN7O.C25H23ClN8.C24H22FN7O/c28-23-15-18(36-14-13-35-11-2-1-3-12-35)7-8-24(23)32-27-20-9-10-29-16-22(20)19-5-4-6-21(25(19)33-27)26-30-17-31-34-26;1-2-13-34(14-3-1)15-16-35-20-9-7-19(8-10-20)31-27-22-11-12-28-17-24(22)21-5-4-6-23(25(21)32-27)26-29-18-30-33-26;27-22-14-17(35-13-12-34-10-1-2-11-34)6-7-23(22)31-26-19-8-9-28-15-21(19)18-4-3-5-20(24(18)32-26)25-29-16-30-33-25;1-33-9-11-34(12-10-33)16-5-6-22(21(26)13-16)30-25-18-7-8-27-14-20(18)17-3-2-4-19(23(17)31-25)24-28-15-29-32-24;1-32(2)10-11-33-15-6-7-21(20(25)12-15)29-24-17-8-9-26-13-19(17)16-4-3-5-18(22(16)30-24)23-27-14-28-31-23/h4-10,15-17H,1-3,11-14H2,(H,32,33)(H,30,31,34);4-12,17-18H,1-3,13-16H2,(H,31,32)(H,29,30,33);3-9,14-16H,1-2,10-13H2,(H,31,32)(H,29,30,33);2-8,13-15H,9-12H2,1H3,(H,30,31)(H,28,29,32);3-9,12-14H,10-11H2,1-2H3,(H,29,30)(H,27,28,31).

What are the key properties of N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?

N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 2349.54 g/mol, XLogP of 25.04, 32 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 161231637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).