8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one

C26H16Cl2N2O — CID 173038170

IUPAC8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cc(Cl)cc(Cl)c2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C26H16Cl2N2O/c27-19-11-18(12-20(28)13-19)23-15-29-26(31)22-14-21(16-7-3-1-4-8-16)24(30-25(22)23)17-9-5-2-6-10-17/h1-15H,(H,29,31)
InChIKeyUPTSJHAFMKOMOT-UHFFFAOYSA-N
MW443.33 g/mol
LogP7.23
Rot. Bonds3

About 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one

8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one (PubChem CID 173038170) has the molecular formula C26H16Cl2N2O and a molecular weight of 443.33 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
PubChem CID173038170
Molecular FormulaC26H16Cl2N2O
Molecular Weight443.33 g/mol
Exact Mass442.06
IUPAC Name8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cc(Cl)cc(Cl)c2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C26H16Cl2N2O/c27-19-11-18(12-20(28)13-19)23-15-29-26(31)22-14-21(16-7-3-1-4-8-16)24(30-25(22)23)17-9-5-2-6-10-17/h1-15H,(H,29,31)
InChIKeyUPTSJHAFMKOMOT-UHFFFAOYSA-N
XLogP7.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
CID 173038182
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997
8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038202
[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
[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524717
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524164
[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
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one (CID 173038170) is 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one is O=c1[nH]cc(-c2cc(Cl)cc(Cl)c2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12.
What is the InChIKey of 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The InChIKey is UPTSJHAFMKOMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N2O/c27-19-11-18(12-20(28)13-19)23-15-29-26(31)22-14-21(16-7-3-1-4-8-16)24(30-25(22)23)17-9-5-2-6-10-17/h1-15H,(H,29,31).
What are the key properties of 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one has a molecular weight of 443.33 g/mol, XLogP of 7.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 173038170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).