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

C22H16N4O — CID 3071941

IUPAC3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(ncn2Cc2ccccc2)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h1-13,15H,14H2
InChIKeyHNQGGXAGBKEMKM-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.78
Rot. Bonds3

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

3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071941) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071941
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(ncn2Cc2ccccc2)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h1-13,15H,14H2
InChIKeyHNQGGXAGBKEMKM-UHFFFAOYSA-N
XLogP3.78
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071941) is 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is O=c1c2c(ncn2Cc2ccccc2)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is HNQGGXAGBKEMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h1-13,15H,14H2.
What are the key properties of 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 352.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).