zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)

C32H26N4S2Zn — CID 142099188

IUPACzinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)
SMILESCc1ccc(S[N-]c2cccc3cccnc23)cc1.Cc1ccc(S[N-]c2cccc3cccnc23)cc1.[Zn+2]
InChIInChI=1S/2C16H13N2S.Zn/c2*1-12-7-9-14(10-8-12)19-18-15-6-2-4-13-5-3-11-17-16(13)15;/h2*2-11H,1H3;/q2*-1;+2
InChIKeyBYIPTMDCRRJHBI-UHFFFAOYSA-N
MW596.11 g/mol
LogP10.51
Rot. Bonds6

About zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)

zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide) (PubChem CID 142099188) has the molecular formula C32H26N4S2Zn and a molecular weight of 596.11 g/mol. Its IUPAC name is zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide).

Molecular Properties

Compound Namezinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)
PubChem CID142099188
Molecular FormulaC32H26N4S2Zn
Molecular Weight596.11 g/mol
Exact Mass594.09
IUPAC Namezinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)
SMILESCc1ccc(S[N-]c2cccc3cccnc23)cc1.Cc1ccc(S[N-]c2cccc3cccnc23)cc1.[Zn+2]
InChIInChI=1S/2C16H13N2S.Zn/c2*1-12-7-9-14(10-8-12)19-18-15-6-2-4-13-5-3-11-17-16(13)15;/h2*2-11H,1H3;/q2*-1;+2
InChIKeyBYIPTMDCRRJHBI-UHFFFAOYSA-N
XLogP10.51
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.11
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide) 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

di(quinolin-8-yl)azanide;titanium
CID 20827876
methylsulfonyl(quinolin-8-yl)azanide
CID 25244687
hafnium(4+);tetrakis(quinolin-8-olate);toluene
CID 139077805
zinc bis(quinolin-8-olate)
CID 162394451
S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate
CID 10267346
7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline
CID 90112553
N-[(5-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 81311378
zinc quinolin-8-ol
CID 22057723
palladium(2+);bis(quinolin-8-olate)
CID 15139981
iron(2+);bis(quinolin-8-olate)
CID 14497034
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601

Frequently Asked Questions

What is the IUPAC name of zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)?
The IUPAC name of zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide) (CID 142099188) is zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide).
What is the SMILES notation for zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)?
The canonical SMILES for zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide) is Cc1ccc(S[N-]c2cccc3cccnc23)cc1.Cc1ccc(S[N-]c2cccc3cccnc23)cc1.[Zn+2].
What is the InChIKey of zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)?
The InChIKey is BYIPTMDCRRJHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N2S.Zn/c2*1-12-7-9-14(10-8-12)19-18-15-6-2-4-13-5-3-11-17-16(13)15;/h2*2-11H,1H3;/q2*-1;+2.
What are the key properties of zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)?
zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide) has a molecular weight of 596.11 g/mol, XLogP of 10.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide) is sourced from PubChem (CID 142099188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).