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

C28H24N3O3S+ — CID 58524679

IUPAC[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILESCS(=O)(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc23)c1
InChIInChI=1S/C28H23N3O3S/c1-35(33,34)22-9-5-8-21(14-22)25-17-30-28(32)24-15-23(19-6-3-2-4-7-19)26(31-27(24)25)20-12-10-18(16-29)11-13-20/h2-15,17H,16,29H2,1H3,(H,30,32)/p+1
InChIKeyLZXPOOQJVAQGPT-UHFFFAOYSA-O
MW482.59 g/mol
LogP4.07
Rot. Bonds5

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

[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524679) has the molecular formula C28H24N3O3S+ and a molecular weight of 482.59 g/mol. Its IUPAC name is [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524679
Molecular FormulaC28H24N3O3S+
Molecular Weight482.59 g/mol
Exact Mass482.15
IUPAC Name[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILESCS(=O)(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc23)c1
InChIInChI=1S/C28H23N3O3S/c1-35(33,34)22-9-5-8-21(14-22)25-17-30-28(32)24-15-23(19-6-3-2-4-7-19)26(31-27(24)25)20-12-10-18(16-29)11-13-20/h2-15,17H,16,29H2,1H3,(H,30,32)/p+1
InChIKeyLZXPOOQJVAQGPT-UHFFFAOYSA-O
XLogP4.07
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524679) is [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is CS(=O)(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc23)c1.
What is the InChIKey of [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is LZXPOOQJVAQGPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H23N3O3S/c1-35(33,34)22-9-5-8-21(14-22)25-17-30-28(32)24-15-23(19-6-3-2-4-7-19)26(31-27(24)25)20-12-10-18(16-29)11-13-20/h2-15,17H,16,29H2,1H3,(H,30,32)/p+1.
What are the key properties of [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 482.59 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).