3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

C17H14N4O — CID 3071939

IUPAC3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C17H14N4O/c1-2-20-11-19-14-13-9-6-10-18-16(13)21(17(22)15(14)20)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyIFOBHIRVXLLDIB-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.76
Rot. Bonds2

About 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071939) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071939
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C17H14N4O/c1-2-20-11-19-14-13-9-6-10-18-16(13)21(17(22)15(14)20)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyIFOBHIRVXLLDIB-UHFFFAOYSA-N
XLogP2.76
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071939) is 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is CCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is IFOBHIRVXLLDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-20-11-19-14-13-9-6-10-18-16(13)21(17(22)15(14)20)12-7-4-3-5-8-12/h3-11H,2H2,1H3.
What are the key properties of 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 290.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).