7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine

C19H18Cl3N3O3 — CID 139385604

About 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine

7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine (PubChem CID 139385604) has the molecular formula C19H18Cl3N3O3 and a molecular weight of 442.73 g/mol. Its IUPAC name is 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine
• PubChem CID: 139385604
• Molecular Formula: C19H18Cl3N3O3
• Molecular Weight: 442.73 g/mol
• Exact Mass: 441.04
• IUPAC Name: 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine
• SMILES: COCCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc12
• InChI: InChI=1S/C19H18Cl3N3O3/c1-26-5-4-23-19-11-7-15(20)24-9-10(11)6-12(25-19)16-17(21)13(27-2)8-14(28-3)18(16)22/h6-9H,4-5H2,1-3H3,(H,23,25)
• InChIKey: IBDVRNAEUKRBFW-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 65.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.73
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine?

The IUPAC name of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine (CID 139385604) is 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine.

What is the SMILES notation for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine?

The canonical SMILES for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine is COCCNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc12.

What is the InChIKey of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine?

The InChIKey is IBDVRNAEUKRBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O3/c1-26-5-4-23-19-11-7-15(20)24-9-10(11)6-12(25-19)16-17(21)13(27-2)8-14(28-3)18(16)22/h6-9H,4-5H2,1-3H3,(H,23,25).

What are the key properties of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine?

7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine has a molecular weight of 442.73 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 139385604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).