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

C27H22N3OS+ — CID 58524555

IUPAC[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3c(-c4cccc(S)c4)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H21N3OS/c28-15-17-9-11-19(12-10-17)25-22(18-5-2-1-3-6-18)14-23-26(30-25)24(16-29-27(23)31)20-7-4-8-21(32)13-20/h1-14,16,32H,15,28H2,(H,29,31)/p+1
InChIKeyQFXIAWISODZJKR-UHFFFAOYSA-O
MW436.56 g/mol
LogP4.95
Rot. Bonds4

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

[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524555) has the molecular formula C27H22N3OS+ and a molecular weight of 436.56 g/mol. Its IUPAC name is [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524555
Molecular FormulaC27H22N3OS+
Molecular Weight436.56 g/mol
Exact Mass436.15
IUPAC Name[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3c(-c4cccc(S)c4)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H21N3OS/c28-15-17-9-11-19(12-10-17)25-22(18-5-2-1-3-6-18)14-23-26(30-25)24(16-29-27(23)31)20-7-4-8-21(32)13-20/h1-14,16,32H,15,28H2,(H,29,31)/p+1
InChIKeyQFXIAWISODZJKR-UHFFFAOYSA-O
XLogP4.95
TPSA73.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-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

Related Compounds

[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-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524717
[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
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
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
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-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524555) is [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3c(-c4cccc(S)c4)c[nH]c(=O)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is QFXIAWISODZJKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H21N3OS/c28-15-17-9-11-19(12-10-17)25-22(18-5-2-1-3-6-18)14-23-26(30-25)24(16-29-27(23)31)20-7-4-8-21(32)13-20/h1-14,16,32H,15,28H2,(H,29,31)/p+1.
What are the key properties of [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 436.56 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).