4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C23H18N4O — CID 53494665

IUPAC4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3cccc4cnccc34)c21
InChIInChI=1S/C23H18N4O/c28-23-22-19(10-12-25-23)27-20(15-5-2-1-3-6-15)13-21(22)26-18-8-4-7-16-14-24-11-9-17(16)18/h1-9,11,13-14H,10,12H2,(H,25,28)(H,26,27)
InChIKeyTUYVSKFPEDMKSO-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.33
Rot. Bonds3

About 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494665) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494665
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3cccc4cnccc34)c21
InChIInChI=1S/C23H18N4O/c28-23-22-19(10-12-25-23)27-20(15-5-2-1-3-6-15)13-21(22)26-18-8-4-7-16-14-24-11-9-17(16)18/h1-9,11,13-14H,10,12H2,(H,25,28)(H,26,27)
InChIKeyTUYVSKFPEDMKSO-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494665) is 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccccc3)cc(Nc3cccc4cnccc34)c21.
What is the InChIKey of 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is TUYVSKFPEDMKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23-22-19(10-12-25-23)27-20(15-5-2-1-3-6-15)13-21(22)26-18-8-4-7-16-14-24-11-9-17(16)18/h1-9,11,13-14H,10,12H2,(H,25,28)(H,26,27).
What are the key properties of 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 366.42 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).