[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

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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-ethoxyphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524504
[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524717
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997
[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
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
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]-8-(4-methylthiophen-3-yl)-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171929567

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).