8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one

C26H17N3O3 — CID 173038098

IUPAC8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C26H17N3O3/c30-26-22-15-21(17-7-3-1-4-8-17)24(19-9-5-2-6-10-19)28-25(22)23(16-27-26)18-11-13-20(14-12-18)29(31)32/h1-16H,(H,27,30)
InChIKeySHJJZNJCIKBLAY-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.83
Rot. Bonds4

About 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one

8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one (PubChem CID 173038098) has the molecular formula C26H17N3O3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
PubChem CID173038098
Molecular FormulaC26H17N3O3
Molecular Weight419.44 g/mol
Exact Mass419.13
IUPAC Name8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C26H17N3O3/c30-26-22-15-21(17-7-3-1-4-8-17)24(19-9-5-2-6-10-19)28-25(22)23(16-27-26)18-11-13-20(14-12-18)29(31)32/h1-16H,(H,27,30)
InChIKeySHJJZNJCIKBLAY-UHFFFAOYSA-N
XLogP5.83
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[8-(4-nitrophenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232465
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
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
[4-[8-(3-ethoxyphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524504
8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038202
[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
[1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium
CID 58524454
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
2-[4-[[2-[(5-nitro-2-pyridinyl)amino]ethylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11554977

Frequently Asked Questions

What is the IUPAC name of 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one (CID 173038098) is 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one is O=c1[nH]cc(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12.
What is the InChIKey of 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
The InChIKey is SHJJZNJCIKBLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O3/c30-26-22-15-21(17-7-3-1-4-8-17)24(19-9-5-2-6-10-19)28-25(22)23(16-27-26)18-11-13-20(14-12-18)29(31)32/h1-16H,(H,27,30).
What are the key properties of 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one?
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one has a molecular weight of 419.44 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 173038098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).