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

C28H32N4O2 — CID 22124584

IUPAC7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CC)cc1
InChIInChI=1S/C28H32N4O2/c1-4-31(5-2)16-17-34-24-14-12-23(13-15-24)30-27-19-26-22(20-29-27)18-25(28(33)32(26)6-3)21-10-8-7-9-11-21/h7-15,18-20H,4-6,16-17H2,1-3H3,(H,29,30)
InChIKeyNYUVNUNWNLQNRN-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.55
Rot. Bonds10

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

7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 22124584) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one
PubChem CID22124584
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CC)cc1
InChIInChI=1S/C28H32N4O2/c1-4-31(5-2)16-17-34-24-14-12-23(13-15-24)30-27-19-26-22(20-29-27)18-25(28(33)32(26)6-3)21-10-8-7-9-11-21/h7-15,18-20H,4-6,16-17H2,1-3H3,(H,29,30)
InChIKeyNYUVNUNWNLQNRN-UHFFFAOYSA-N
XLogP5.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one (CID 22124584) is 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CC)cc1.
What is the InChIKey of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one?
The InChIKey is NYUVNUNWNLQNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-4-31(5-2)16-17-34-24-14-12-23(13-15-24)30-27-19-26-22(20-29-27)18-25(28(33)32(26)6-3)21-10-8-7-9-11-21/h7-15,18-20H,4-6,16-17H2,1-3H3,(H,29,30).
What are the key properties of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one?
7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 456.59 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).