5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one

C18H16N4O — CID 3071940

IUPAC5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCC(C)n1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C18H16N4O/c1-12(2)21-11-20-15-14-9-6-10-19-17(14)22(18(23)16(15)21)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyIVFZIPBPUJKWHP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.32
Rot. Bonds2

About 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one

5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071940) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071940
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCC(C)n1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C18H16N4O/c1-12(2)21-11-20-15-14-9-6-10-19-17(14)22(18(23)16(15)21)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyIVFZIPBPUJKWHP-UHFFFAOYSA-N
XLogP3.32
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071940) is 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one is CC(C)n1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is IVFZIPBPUJKWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12(2)21-11-20-15-14-9-6-10-19-17(14)22(18(23)16(15)21)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one?
5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).