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

C17H15Cl2N3O — CID 5328702

IUPAC3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one
SMILESCN(C)c1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C17H15Cl2N3O/c1-21(2)15-8-14-10(9-20-15)7-11(17(23)22(14)3)16-12(18)5-4-6-13(16)19/h4-9H,1-3H3
InChIKeyKSMUUGYCEOHFHH-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.97
Rot. Bonds2

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

3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328702) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328702
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one
SMILESCN(C)c1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C17H15Cl2N3O/c1-21(2)15-8-14-10(9-20-15)7-11(17(23)22(14)3)16-12(18)5-4-6-13(16)19/h4-9H,1-3H3
InChIKeyKSMUUGYCEOHFHH-UHFFFAOYSA-N
XLogP3.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one (CID 5328702) is 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one is CN(C)c1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is KSMUUGYCEOHFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-21(2)15-8-14-10(9-20-15)7-11(17(23)22(14)3)16-12(18)5-4-6-13(16)19/h4-9H,1-3H3.
What are the key properties of 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 348.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-(dimethylamino)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).