4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine

C28H24Cl2N6O5 — CID 138583780

About 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine

4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine (PubChem CID 138583780) has the molecular formula C28H24Cl2N6O5 and a molecular weight of 595.44 g/mol. Its IUPAC name is 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine.

Molecular Properties

• Compound Name: 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine
• PubChem CID: 138583780
• Molecular Formula: C28H24Cl2N6O5
• Molecular Weight: 595.44 g/mol
• Exact Mass: 594.12
• IUPAC Name: 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine
• SMILES: COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccc(N5CCOCC5)cc4[N+](=O)[O-])cc3n3ccnc23)c1Cl
• InChI: InChI=1S/C28H24Cl2N6O5/c1-39-22-14-23(40-2)27(30)25(26(22)29)18-11-16-15-32-24(13-20(16)35-6-5-31-28(18)35)33-19-4-3-17(12-21(19)36(37)38)34-7-9-41-10-8-34/h3-6,11-15H,7-10H2,1-2H3,(H,32,33)
• InChIKey: XQNHYPAHNUALTD-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 116.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.44
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine?

The IUPAC name of 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine (CID 138583780) is 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine.

What is the SMILES notation for 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine?

The canonical SMILES for 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4ccc(N5CCOCC5)cc4[N+](=O)[O-])cc3n3ccnc23)c1Cl.

What is the InChIKey of 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine?

The InChIKey is XQNHYPAHNUALTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N6O5/c1-39-22-14-23(40-2)27(30)25(26(22)29)18-11-16-15-32-24(13-20(16)35-6-5-31-28(18)35)33-19-4-3-17(12-21(19)36(37)38)34-7-9-41-10-8-34/h3-6,11-15H,7-10H2,1-2H3,(H,32,33).

What are the key properties of 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine?

4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine has a molecular weight of 595.44 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-morpholin-4-yl-2-nitrophenyl)imidazo[1,2-a][1,6]naphthyridin-8-amine is sourced from PubChem (CID 138583780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).