3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

C19H18N4O — CID 3071971

IUPAC3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCC(C)Cn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H18N4O/c1-13(2)11-22-12-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3
InChIKeyUWJAFRDFISOYFE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.39
Rot. Bonds3

About 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071971) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071971
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCC(C)Cn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H18N4O/c1-13(2)11-22-12-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3
InChIKeyUWJAFRDFISOYFE-UHFFFAOYSA-N
XLogP3.39
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071971) is 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is CC(C)Cn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is UWJAFRDFISOYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13(2)11-22-12-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 318.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).