[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium

C25H20N3O2+ — CID 58524717

IUPAC[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3c(-c4ccoc4)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H19N3O2/c26-13-16-6-8-18(9-7-16)23-20(17-4-2-1-3-5-17)12-21-24(28-23)22(14-27-25(21)29)19-10-11-30-15-19/h1-12,14-15H,13,26H2,(H,27,29)/p+1
InChIKeyRLLBCJWFWRCJSA-UHFFFAOYSA-O
MW394.45 g/mol
LogP4.26
Rot. Bonds4

About [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium

[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524717) has the molecular formula C25H20N3O2+ and a molecular weight of 394.45 g/mol. Its IUPAC name is [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524717
Molecular FormulaC25H20N3O2+
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC Name[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3c(-c4ccoc4)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H19N3O2/c26-13-16-6-8-18(9-7-16)23-20(17-4-2-1-3-5-17)12-21-24(28-23)22(14-27-25(21)29)19-10-11-30-15-19/h1-12,14-15H,13,26H2,(H,27,29)/p+1
InChIKeyRLLBCJWFWRCJSA-UHFFFAOYSA-O
XLogP4.26
TPSA86.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium with MolForge

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Related Compounds

[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524555
[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
[4-[8-(4-nitrophenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232465
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
8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038170
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
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

Frequently Asked Questions

What is the IUPAC name of [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524717) is [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3c(-c4ccoc4)c[nH]c(=O)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is RLLBCJWFWRCJSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H19N3O2/c26-13-16-6-8-18(9-7-16)23-20(17-4-2-1-3-5-17)12-21-24(28-23)22(14-27-25(21)29)19-10-11-30-15-19/h1-12,14-15H,13,26H2,(H,27,29)/p+1.
What are the key properties of [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 394.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).