3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one

C28H30Cl2N4O2 — CID 22124644

IUPAC3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)cc1
InChIInChI=1S/C28H30Cl2N4O2/c1-4-33(5-2)14-15-36-21-12-10-20(11-13-21)32-26-17-25-19(18-31-26)16-22(28(35)34(25)6-3)27-23(29)8-7-9-24(27)30/h7-13,16-18H,4-6,14-15H2,1-3H3,(H,31,32)
InChIKeyMVKJCQLSJNMIMF-UHFFFAOYSA-N
MW525.48 g/mol
LogP6.85
Rot. Bonds10

About 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one (PubChem CID 22124644) has the molecular formula C28H30Cl2N4O2 and a molecular weight of 525.48 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
PubChem CID22124644
Molecular FormulaC28H30Cl2N4O2
Molecular Weight525.48 g/mol
Exact Mass524.17
IUPAC Name3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)cc1
InChIInChI=1S/C28H30Cl2N4O2/c1-4-33(5-2)14-15-36-21-12-10-20(11-13-21)32-26-17-25-19(18-31-26)16-22(28(35)34(25)6-3)27-23(29)8-7-9-24(27)30/h7-13,16-18H,4-6,14-15H2,1-3H3,(H,31,32)
InChIKeyMVKJCQLSJNMIMF-UHFFFAOYSA-N
XLogP6.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one (CID 22124644) is 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one?
The InChIKey is MVKJCQLSJNMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O2/c1-4-33(5-2)14-15-36-21-12-10-20(11-13-21)32-26-17-25-19(18-31-26)16-22(28(35)34(25)6-3)27-23(29)8-7-9-24(27)30/h7-13,16-18H,4-6,14-15H2,1-3H3,(H,31,32).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one has a molecular weight of 525.48 g/mol, XLogP of 6.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).