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

C₁₀₈H₈₄Cl₃FN₃₂O₂ — CID 158571166

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

N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 158571166) has the molecular formula C₁₀₈H₈₄Cl₃FN₃₂O₂ and a molecular weight of 1987.44 g/mol. Its IUPAC name is N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

• Compound Name: N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
• PubChem CID: 158571166
• Molecular Formula: C₁₀₈H₈₄Cl₃FN₃₂O₂
• Molecular Weight: 1987.44 g/mol
• Exact Mass: 1984.65
• IUPAC Name: N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-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(Cl)c1.CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1.Clc1cccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)c1.Clc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.Fc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12
• InChI: InChI=1S/C24H22ClN7O.C24H23N7O.2C20H13ClN6.C20H13FN6/c1-32(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;1-31(2)12-13-32-17-8-6-16(7-9-17)28-24-19-10-11-25-14-21(19)18-4-3-5-20(22(18)29-24)23-26-15-27-30-23;21-12-3-1-4-13(9-12)25-20-15-7-8-22-10-17(15)14-5-2-6-16(18(14)26-20)19-23-11-24-27-19;2*21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h3-9,12-14H,10-11H2,1-2H3,(H,29,30)(H,27,28,31);3-11,14-15H,12-13H2,1-2H3,(H,28,29)(H,26,27,30);3*1-11H,(H,25,26)(H,23,24,27)
• InChIKey: HSCDGFCVMAJLKL-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 421.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.44
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

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

The IUPAC name of N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 158571166) is N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-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-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?

The canonical SMILES for N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-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(Cl)c1.CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1.Clc1cccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)c1.Clc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.Fc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.

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

The InChIKey is HSCDGFCVMAJLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O.C24H23N7O.2C20H13ClN6.C20H13FN6/c1-32(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;1-31(2)12-13-32-17-8-6-16(7-9-17)28-24-19-10-11-25-14-21(19)18-4-3-5-20(22(18)29-24)23-26-15-27-30-23;21-12-3-1-4-13(9-12)25-20-15-7-8-22-10-17(15)14-5-2-6-16(18(14)26-20)19-23-11-24-27-19;2*21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h3-9,12-14H,10-11H2,1-2H3,(H,29,30)(H,27,28,31);3-11,14-15H,12-13H2,1-2H3,(H,28,29)(H,26,27,30);3*1-11H,(H,25,26)(H,23,24,27).

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

N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 1987.44 g/mol, XLogP of 23.54, 23 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 158571166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158571166 — identifiers, structure, computed properties (public domain)

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