ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium

C31H57N3WY-2 — CID 157463329

IUPACethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium
SMILESC.C.C.C.CC.CC.CC.[CH2-]c1cccc(C)c1.[W].[Y].c1cc(N2CC[N-]CC2)c2cccnc2c1
InChIInChI=1S/C13H14N3.C8H9.3C2H6.4CH4.W.Y/c1-4-12-11(3-2-6-15-12)13(5-1)16-9-7-14-8-10-16;1-7-4-3-5-8(2)6-7;3*1-2;;;;;;/h1-6H,7-10H2;3-6H,1H2,2H3;3*1-2H3;4*1H4;;/q2*-1;;;;;;;;;
InChIKeyOOEBBLZAYKKCJJ-UHFFFAOYSA-N
MW744.56 g/mol
LogP10.22
Rot. Bonds1

About ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium

ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium (PubChem CID 157463329) has the molecular formula C31H57N3WY-2 and a molecular weight of 744.56 g/mol. Its IUPAC name is ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium.

Molecular Properties

Compound Nameethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium
PubChem CID157463329
Molecular FormulaC31H57N3WY-2
Molecular Weight744.56 g/mol
Exact Mass744.31
IUPAC Nameethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium
SMILESC.C.C.C.CC.CC.CC.[CH2-]c1cccc(C)c1.[W].[Y].c1cc(N2CC[N-]CC2)c2cccnc2c1
InChIInChI=1S/C13H14N3.C8H9.3C2H6.4CH4.W.Y/c1-4-12-11(3-2-6-15-12)13(5-1)16-9-7-14-8-10-16;1-7-4-3-5-8(2)6-7;3*1-2;;;;;;/h1-6H,7-10H2;3-6H,1H2,2H3;3*1-2H3;4*1H4;;/q2*-1;;;;;;;;;
InChIKeyOOEBBLZAYKKCJJ-UHFFFAOYSA-N
XLogP10.22
TPSA30.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.56
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium with MolForge

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Launch Full Analysis

Related Compounds

1-methanidyl-3-nitrobenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium
CID 58977236
5-pyrrolidin-1-ylquinoline
CID 118731129
5-piperidin-1-ylquinoline
CID 12887802
5-piperazin-1-ylquinoline
CID 10656226
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
N-propyl-1-quinolin-5-ylpiperidin-4-amine
CID 43315003
5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
2-quinolin-5-yl-1,3-dihydroisoindol-5-amine
CID 43370073
1-tert-butyl-4-quinolin-5-ylpiperazine-2-carboxylic acid
CID 18414109
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
2-(3-aminophenyl)acetic acid;carbonyl dichloride;chloroethane;ethane;[N-ethyl-3-(2-hydroxyethyl)anilino]methanone;bis(2-[3-[ethyl(oxomethyl)amino]phenyl]ethyl methanesulfonate);1-isocyanatopropane;methane;1-methanidyl-3-methylbenzene;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[ethyl(oxomethyl)amino]phenyl]acetate;methyl 2-[3-(oxomethylamino)phenyl]acetate;2-methyl-5-piperazin-1-ylquinoline;5-piperazin-4-id-1-ylquinoline;propane;heptakis(yttrium);hydrochloride;hydroiodide
CID 158292394

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium?
The IUPAC name of ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium (CID 157463329) is ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium.
What is the SMILES notation for ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium?
The canonical SMILES for ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium is C.C.C.C.CC.CC.CC.[CH2-]c1cccc(C)c1.[W].[Y].c1cc(N2CC[N-]CC2)c2cccnc2c1.
What is the InChIKey of ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium?
The InChIKey is OOEBBLZAYKKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N3.C8H9.3C2H6.4CH4.W.Y/c1-4-12-11(3-2-6-15-12)13(5-1)16-9-7-14-8-10-16;1-7-4-3-5-8(2)6-7;3*1-2;;;;;;/h1-6H,7-10H2;3-6H,1H2,2H3;3*1-2H3;4*1H4;;/q2*-1;;;;;;;;;.
What are the key properties of ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium?
ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium has a molecular weight of 744.56 g/mol, XLogP of 10.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methanidyl-3-methylbenzene;5-piperazin-4-id-1-ylquinoline;tungsten;yttrium is sourced from PubChem (CID 157463329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).