azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)

C32H57ClN4Y2-4 — CID 161482167

IUPACazanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.Clc1ccnc2ccccc12.[CH2-]c1ccnc2ccccc12.[CH3-].[NH2-].[NH2-].[Y].[Y]
InChIInChI=1S/C10H8N.C9H6ClN.6C2H6.CH3.2H2N.2Y/c1-8-6-7-11-10-5-3-2-4-9(8)10;10-8-5-6-11-9-4-2-1-3-7(8)9;6*1-2;;;;;/h2-7H,1H2;1-6H;6*1-2H3;1H3;2*1H2;;/q-1;;;;;;;;3*-1;;
InChIKeyXGDFDTUSXSDWSN-UHFFFAOYSA-N
MW711.10 g/mol
LogP13.34
Rot. Bonds

About azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)

azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium) (PubChem CID 161482167) has the molecular formula C32H57ClN4Y2-4 and a molecular weight of 711.10 g/mol. Its IUPAC name is azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium).

Molecular Properties

Compound Nameazanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)
PubChem CID161482167
Molecular FormulaC32H57ClN4Y2-4
Molecular Weight711.10 g/mol
Exact Mass710.24
IUPAC Nameazanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.Clc1ccnc2ccccc12.[CH2-]c1ccnc2ccccc12.[CH3-].[NH2-].[NH2-].[Y].[Y]
InChIInChI=1S/C10H8N.C9H6ClN.6C2H6.CH3.2H2N.2Y/c1-8-6-7-11-10-5-3-2-4-9(8)10;10-8-5-6-11-9-4-2-1-3-7(8)9;6*1-2;;;;;/h2-7H,1H2;1-6H;6*1-2H3;1H3;2*1H2;;/q-1;;;;;;;;3*-1;;
InChIKeyXGDFDTUSXSDWSN-UHFFFAOYSA-N
XLogP13.34
TPSA92.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.10
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium) 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-chloroquinoline;ethane
CID 91461667
ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
iodomethane;4-methylquinoline
CID 161278358
4,7-dichloroquinoline
CID 6866
trichloro(quinolin-4-yl)silane
CID 119089813
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4-chloro-6-methylquinoline;hydrobromide
CID 163342564
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
CID 5478230
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
4-chloro-6-phenoxyquinoline
CID 43531961

Frequently Asked Questions

What is the IUPAC name of azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)?
The IUPAC name of azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium) (CID 161482167) is azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium).
What is the SMILES notation for azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)?
The canonical SMILES for azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium) is CC.CC.CC.CC.CC.CC.Clc1ccnc2ccccc12.[CH2-]c1ccnc2ccccc12.[CH3-].[NH2-].[NH2-].[Y].[Y].
What is the InChIKey of azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)?
The InChIKey is XGDFDTUSXSDWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N.C9H6ClN.6C2H6.CH3.2H2N.2Y/c1-8-6-7-11-10-5-3-2-4-9(8)10;10-8-5-6-11-9-4-2-1-3-7(8)9;6*1-2;;;;;/h2-7H,1H2;1-6H;6*1-2H3;1H3;2*1H2;;/q-1;;;;;;;;3*-1;;.
What are the key properties of azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)?
azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium) has a molecular weight of 711.10 g/mol, XLogP of 13.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium) is sourced from PubChem (CID 161482167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).