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

C21H15Cl2N3O — CID 5328713

IUPAC7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)cc21
InChIInChI=1S/C21H15Cl2N3O/c1-26-18-11-19(25-14-6-3-2-4-7-14)24-12-13(18)10-15(21(26)27)20-16(22)8-5-9-17(20)23/h2-12H,1H3,(H,24,25)
InChIKeyGDAUEONAUDPBQF-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.65
Rot. Bonds3

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

7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328713) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328713
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC Name7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)cc21
InChIInChI=1S/C21H15Cl2N3O/c1-26-18-11-19(25-14-6-3-2-4-7-14)24-12-13(18)10-15(21(26)27)20-16(22)8-5-9-17(20)23/h2-12H,1H3,(H,24,25)
InChIKeyGDAUEONAUDPBQF-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one (CID 5328713) is 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)cc21.
What is the InChIKey of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is GDAUEONAUDPBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c1-26-18-11-19(25-14-6-3-2-4-7-14)24-12-13(18)10-15(21(26)27)20-16(22)8-5-9-17(20)23/h2-12H,1H3,(H,24,25).
What are the key properties of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 396.28 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).