3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine

C17H15Cl2N3O2 — CID 135179837

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N)n2)c1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-8-4-10-9(7-21-8)5-11(22-17(10)20)14-15(18)12(23-2)6-13(24-3)16(14)19/h4-7H,1-3H3,(H2,20,22)
InChIKeyOPQPIMRLXKNUHX-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.51
Rot. Bonds3

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine (PubChem CID 135179837) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
PubChem CID135179837
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N)n2)c1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-8-4-10-9(7-21-8)5-11(22-17(10)20)14-15(18)12(23-2)6-13(24-3)16(14)19/h4-7H,1-3H3,(H2,20,22)
InChIKeyOPQPIMRLXKNUHX-UHFFFAOYSA-N
XLogP4.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine (CID 135179837) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine.
What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N)n2)c1Cl.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The InChIKey is OPQPIMRLXKNUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-8-4-10-9(7-21-8)5-11(22-17(10)20)14-15(18)12(23-2)6-13(24-3)16(14)19/h4-7H,1-3H3,(H2,20,22).
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine has a molecular weight of 364.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine is sourced from PubChem (CID 135179837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).