6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one

C23H13N3O — CID 155170969

IUPAC6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
SMILESO=c1c#c[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12
InChIInChI=1S/C23H13N3O/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/h1-8,10,12-14H,(H,25,26)
InChIKeyQTFUGGYLUPUCRH-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.41
Rot. Bonds2

About 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one

6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one (PubChem CID 155170969) has the molecular formula C23H13N3O and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
PubChem CID155170969
Molecular FormulaC23H13N3O
Molecular Weight347.38 g/mol
Exact Mass347.11
IUPAC Name6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
SMILESO=c1c#c[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12
InChIInChI=1S/C23H13N3O/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/h1-8,10,12-14H,(H,25,26)
InChIKeyQTFUGGYLUPUCRH-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.41
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-2,3-didehydro-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one (CID 155170969) is 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one is O=c1c#c[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12.
What is the InChIKey of 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one?
The InChIKey is QTFUGGYLUPUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N3O/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/h1-8,10,12-14H,(H,25,26).
What are the key properties of 6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one?
6-isoquinolin-6-yl-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one has a molecular weight of 347.38 g/mol, XLogP of 4.41, 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-2,3-didehydro-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).