3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one

C22H17Cl2N3O2 — CID 5328730

IUPAC3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one
SMILESCOc1ccc(Nc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C22H17Cl2N3O2/c1-27-21-13(12-16(22(27)28)20-17(23)4-3-5-18(20)24)6-11-19(26-21)25-14-7-9-15(29-2)10-8-14/h3-12H,1-2H3,(H,25,26)
InChIKeyDFRMPGWCYUTILD-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.66
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 5328730) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one
PubChem CID5328730
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one
SMILESCOc1ccc(Nc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C22H17Cl2N3O2/c1-27-21-13(12-16(22(27)28)20-17(23)4-3-5-18(20)24)6-11-19(26-21)25-14-7-9-15(29-2)10-8-14/h3-12H,1-2H3,(H,25,26)
InChIKeyDFRMPGWCYUTILD-UHFFFAOYSA-N
XLogP5.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one (CID 5328730) is 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one is COc1ccc(Nc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is DFRMPGWCYUTILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-27-21-13(12-16(22(27)28)20-17(23)4-3-5-18(20)24)6-11-19(26-21)25-14-7-9-15(29-2)10-8-14/h3-12H,1-2H3,(H,25,26).
What are the key properties of 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 426.30 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-(4-methoxyanilino)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 5328730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).