6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one

C23H15N3O — CID 137423274

IUPAC6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12
InChIInChI=1S/C23H15N3O/c27-21-9-11-25-23-20(21)13-19(22(26-23)15-4-2-1-3-5-15)17-6-7-18-14-24-10-8-16(18)12-17/h1-14H,(H,25,26,27)
InChIKeyFHXCLJGTLCCPFB-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.81
Rot. Bonds2

About 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one

6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137423274) has the molecular formula C23H15N3O and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137423274
Molecular FormulaC23H15N3O
Molecular Weight349.39 g/mol
Exact Mass349.12
IUPAC Name6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12
InChIInChI=1S/C23H15N3O/c27-21-9-11-25-23-20(21)13-19(22(26-23)15-4-2-1-3-5-15)17-6-7-18-14-24-10-8-16(18)12-17/h1-14H,(H,25,26,27)
InChIKeyFHXCLJGTLCCPFB-UHFFFAOYSA-N
XLogP4.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137423274) is 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12.
What is the InChIKey of 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is FHXCLJGTLCCPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O/c27-21-9-11-25-23-20(21)13-19(22(26-23)15-4-2-1-3-5-15)17-6-7-18-14-24-10-8-16(18)12-17/h1-14H,(H,25,26,27).
What are the key properties of 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one?
6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 349.39 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137423274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).