2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one

C23H20N2OS — CID 58694544

IUPAC2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCCSc1cc2c(cn1)c(=O)cc(Cc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-2-27-23-15-21-20(16-24-23)22(26)14-19(13-17-9-5-3-6-10-17)25(21)18-11-7-4-8-12-18/h3-12,14-16H,2,13H2,1H3
InChIKeyIAKKPIWBXDLEPC-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.09
Rot. Bonds5

About 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one

2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 58694544) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one
PubChem CID58694544
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCCSc1cc2c(cn1)c(=O)cc(Cc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-2-27-23-15-21-20(16-24-23)22(26)14-19(13-17-9-5-3-6-10-17)25(21)18-11-7-4-8-12-18/h3-12,14-16H,2,13H2,1H3
InChIKeyIAKKPIWBXDLEPC-UHFFFAOYSA-N
XLogP5.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-phenyl-7-pyrrolidin-1-yl-1,6-naphthyridin-4-one
CID 58694548
2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 143113464
2-cyclopentyloxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 20790938
2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 10155193
2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135402235
6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
4-benzyl-3-phenyl-1,3-oxazol-2-one
CID 138858082
3-benzyl-7-chloro-2-(1,3-oxazol-2-yl)-1-phenylquinolin-4-one
CID 59846231
2-benzyl-6-methyl-3-phenylpyrimidin-4-one
CID 13280786
N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide
CID 20791220
2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
CID 20790696
ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide
CID 142224880

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one (CID 58694544) is 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one is CCSc1cc2c(cn1)c(=O)cc(Cc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is IAKKPIWBXDLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-2-27-23-15-21-20(16-24-23)22(26)14-19(13-17-9-5-3-6-10-17)25(21)18-11-7-4-8-12-18/h3-12,14-16H,2,13H2,1H3.
What are the key properties of 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one?
2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 372.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 58694544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).