ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)

C23H29N3Y2-2 — CID 159226401

IUPACethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)
SMILESCC.CC.[CH2-]/N=C(\[N-]C)c1c(C)c(-c2ccccc2)nc2ccccc12.[Y].[Y]
InChIInChI=1S/C19H17N3.2C2H6.2Y/c1-13-17(19(20-2)21-3)15-11-7-8-12-16(15)22-18(13)14-9-5-4-6-10-14;2*1-2;;/h4-12H,2H2,1,3H3;2*1-2H3;;/q-2;;;;
InChIKeyYMNPIDFBEJKGIK-UHFFFAOYSA-N
MW525.32 g/mol
LogP6.80
Rot. Bonds2

About ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)

ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium) (PubChem CID 159226401) has the molecular formula C23H29N3Y2-2 and a molecular weight of 525.32 g/mol. Its IUPAC name is ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium).

Molecular Properties

Compound Nameethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)
PubChem CID159226401
Molecular FormulaC23H29N3Y2-2
Molecular Weight525.32 g/mol
Exact Mass525.05
IUPAC Nameethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)
SMILESCC.CC.[CH2-]/N=C(\[N-]C)c1c(C)c(-c2ccccc2)nc2ccccc12.[Y].[Y]
InChIInChI=1S/C19H17N3.2C2H6.2Y/c1-13-17(19(20-2)21-3)15-11-7-8-12-16(15)22-18(13)14-9-5-4-6-10-14;2*1-2;;/h4-12H,2H2,1,3H3;2*1-2H3;;/q-2;;;;
InChIKeyYMNPIDFBEJKGIK-UHFFFAOYSA-N
XLogP6.80
TPSA39.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.32
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)?
The IUPAC name of ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium) (CID 159226401) is ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium).
What is the SMILES notation for ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)?
The canonical SMILES for ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium) is CC.CC.[CH2-]/N=C(\[N-]C)c1c(C)c(-c2ccccc2)nc2ccccc12.[Y].[Y].
What is the InChIKey of ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)?
The InChIKey is YMNPIDFBEJKGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3.2C2H6.2Y/c1-13-17(19(20-2)21-3)15-11-7-8-12-16(15)22-18(13)14-9-5-4-6-10-14;2*1-2;;/h4-12H,2H2,1,3H3;2*1-2H3;;/q-2;;;;.
What are the key properties of ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium)?
ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium) has a molecular weight of 525.32 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[N-methanidyl-C-(3-methyl-2-phenylquinolin-4-yl)carbonimidoyl]-methylazanide;bis(yttrium) is sourced from PubChem (CID 159226401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).