3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one

C16H13Cl2N3O — CID 5328701

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C16H13Cl2N3O/c1-19-14-7-13-9(8-20-14)6-10(16(22)21(13)2)15-11(17)4-3-5-12(15)18/h3-8H,1-2H3,(H,19,20)
InChIKeyMWTPPQWWCAVXIS-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.95
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one (PubChem CID 5328701) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
PubChem CID5328701
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C16H13Cl2N3O/c1-19-14-7-13-9(8-20-14)6-10(16(22)21(13)2)15-11(17)4-3-5-12(15)18/h3-8H,1-2H3,(H,19,20)
InChIKeyMWTPPQWWCAVXIS-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one (CID 5328701) is 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one is CNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
The InChIKey is MWTPPQWWCAVXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-19-14-7-13-9(8-20-14)6-10(16(22)21(13)2)15-11(17)4-3-5-12(15)18/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one has a molecular weight of 334.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).