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

C16H12N4O — CID 3071959

IUPAC3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C16H12N4O/c1-19-10-18-13-12-8-5-9-17-15(12)20(16(21)14(13)19)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyQTLGGVWDGXZCST-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.27
Rot. Bonds1

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

3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071959) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071959
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C16H12N4O/c1-19-10-18-13-12-8-5-9-17-15(12)20(16(21)14(13)19)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyQTLGGVWDGXZCST-UHFFFAOYSA-N
XLogP2.27
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071959) is 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is Cn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is QTLGGVWDGXZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-19-10-18-13-12-8-5-9-17-15(12)20(16(21)14(13)19)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 276.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).