1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one

C15H19N3O2 — CID 134588609

IUPAC1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one
SMILESCCn1ccc(=O)c2cc(NC3CCOCC3)cnc21
InChIInChI=1S/C15H19N3O2/c1-2-18-6-3-14(19)13-9-12(10-16-15(13)18)17-11-4-7-20-8-5-11/h3,6,9-11,17H,2,4-5,7-8H2,1H3
InChIKeyZFIWWCHBCLCACK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.01
Rot. Bonds3

About 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one

1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one (PubChem CID 134588609) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one
PubChem CID134588609
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one
SMILESCCn1ccc(=O)c2cc(NC3CCOCC3)cnc21
InChIInChI=1S/C15H19N3O2/c1-2-18-6-3-14(19)13-9-12(10-16-15(13)18)17-11-4-7-20-8-5-11/h3,6,9-11,17H,2,4-5,7-8H2,1H3
InChIKeyZFIWWCHBCLCACK-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one (CID 134588609) is 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one is CCn1ccc(=O)c2cc(NC3CCOCC3)cnc21.
What is the InChIKey of 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one?
The InChIKey is ZFIWWCHBCLCACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-18-6-3-14(19)13-9-12(10-16-15(13)18)17-11-4-7-20-8-5-11/h3,6,9-11,17H,2,4-5,7-8H2,1H3.
What are the key properties of 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one?
1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one has a molecular weight of 273.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one is sourced from PubChem (CID 134588609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).