8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one

C28H18N2OS — CID 173038202

IUPAC8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cccc3ccsc23)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C28H18N2OS/c31-28-23-16-22(18-8-3-1-4-9-18)25(19-10-5-2-6-11-19)30-26(23)24(17-29-28)21-13-7-12-20-14-15-32-27(20)21/h1-17H,(H,29,31)
InChIKeyLRUQDBSPEADRSO-UHFFFAOYSA-N
MW430.53 g/mol
LogP7.14
Rot. Bonds3

About 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one

8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one (PubChem CID 173038202) has the molecular formula C28H18N2OS and a molecular weight of 430.53 g/mol. Its IUPAC name is 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
PubChem CID173038202
Molecular FormulaC28H18N2OS
Molecular Weight430.53 g/mol
Exact Mass430.11
IUPAC Name8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cccc3ccsc23)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C28H18N2OS/c31-28-23-16-22(18-8-3-1-4-9-18)25(19-10-5-2-6-11-19)30-26(23)24(17-29-28)21-13-7-12-20-14-15-32-27(20)21/h1-17H,(H,29,31)
InChIKeyLRUQDBSPEADRSO-UHFFFAOYSA-N
XLogP7.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
CID 173038182
8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038170
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
2-[4-(aminomethyl)phenyl]-3-phenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171928748
[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524555
2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one
CID 58524399
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524164
2-[4-(aminomethyl)phenyl]-8-(4-methylthiophen-3-yl)-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171929567
[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524679
[4-[8-(3-ethoxyphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524504

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one (CID 173038202) is 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one is O=c1[nH]cc(-c2cccc3ccsc23)c2nc(-c3ccccc3)c(-c3ccccc3)cc12.
What is the InChIKey of 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The InChIKey is LRUQDBSPEADRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2OS/c31-28-23-16-22(18-8-3-1-4-9-18)25(19-10-5-2-6-11-19)30-26(23)24(17-29-28)21-13-7-12-20-14-15-32-27(20)21/h1-17H,(H,29,31).
What are the key properties of 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one has a molecular weight of 430.53 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 173038202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).