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

C127H118Cl2F3N35O5 — CID 157429706

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

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 157429706) has the molecular formula C127H118Cl2F3N35O5 and a molecular weight of 2342.48 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

• Compound Name: N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
• PubChem CID: 157429706
• Molecular Formula: C127H118Cl2F3N35O5
• Molecular Weight: 2342.48 g/mol
• Exact Mass: 2339.94
• IUPAC Name: N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-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)cc1Cl.CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1F.Clc1cc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)ccc1OCCN1CCCC1.Fc1cc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)ccc1OCCN1CCCC1.Fc1cc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)ccc1OCCN1CCCCC1
• InChI: InChI=1S/C27H26FN7O.C26H24ClN7O.C26H24FN7O.C24H22ClN7O.C24H22FN7O/c28-23-15-18(7-8-24(23)36-14-13-35-11-2-1-3-12-35)32-27-20-9-10-29-16-22(20)19-5-4-6-21(25(19)33-27)26-30-17-31-34-26;2*27-22-14-17(6-7-23(22)35-13-12-34-10-1-2-11-34)31-26-19-8-9-28-15-21(19)18-4-3-5-20(24(18)32-26)25-29-16-30-33-25;2*1-32(2)10-11-33-21-7-6-15(12-20(21)25)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);2*3-9,14-16H,1-2,10-13H2,(H,31,32)(H,29,30,33);2*3-9,12-14H,10-11H2,1-2H3,(H,29,30)(H,27,28,31)
• InChIKey: BQJPNFHYCCBRBD-UHFFFAOYSA-N
• XLogP: 24.98
• TPSA: 459.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2342.48
LogP ≤ 5	24.98
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-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?

The IUPAC name of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 157429706) is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-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-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?

The canonical SMILES for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-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)cc1Cl.CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1F.Clc1cc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)ccc1OCCN1CCCC1.Fc1cc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)ccc1OCCN1CCCC1.Fc1cc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)ccc1OCCN1CCCCC1.

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

The InChIKey is BQJPNFHYCCBRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O.C26H24ClN7O.C26H24FN7O.C24H22ClN7O.C24H22FN7O/c28-23-15-18(7-8-24(23)36-14-13-35-11-2-1-3-12-35)32-27-20-9-10-29-16-22(20)19-5-4-6-21(25(19)33-27)26-30-17-31-34-26;2*27-22-14-17(6-7-23(22)35-13-12-34-10-1-2-11-34)31-26-19-8-9-28-15-21(19)18-4-3-5-20(24(18)32-26)25-29-16-30-33-25;2*1-32(2)10-11-33-21-7-6-15(12-20(21)25)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);2*3-9,14-16H,1-2,10-13H2,(H,31,32)(H,29,30,33);2*3-9,12-14H,10-11H2,1-2H3,(H,29,30)(H,27,28,31).

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

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 2342.48 g/mol, XLogP of 24.98, 35 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 157429706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).