carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium

C12H14N2OY-2 — CID 59551853

IUPACcarbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium
SMILESCOCc1cccc2nc([NH-])ccc12.[CH3-].[Y]
InChIInChI=1S/C11H11N2O.CH3.Y/c1-14-7-8-3-2-4-10-9(8)5-6-11(12)13-10;;/h2-6H,7H2,1H3,(H-,12,13);1H3;/q2*-1;
InChIKeyPHSGHTVPKPBNDK-UHFFFAOYSA-N
MW291.16 g/mol
LogP3.51
Rot. Bonds2

About carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium

carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium (PubChem CID 59551853) has the molecular formula C12H14N2OY-2 and a molecular weight of 291.16 g/mol. Its IUPAC name is carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium.

Molecular Properties

Compound Namecarbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium
PubChem CID59551853
Molecular FormulaC12H14N2OY-2
Molecular Weight291.16 g/mol
Exact Mass291.02
IUPAC Namecarbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium
SMILESCOCc1cccc2nc([NH-])ccc12.[CH3-].[Y]
InChIInChI=1S/C11H11N2O.CH3.Y/c1-14-7-8-3-2-4-10-9(8)5-6-11(12)13-10;;/h2-6H,7H2,1H3,(H-,12,13);1H3;/q2*-1;
InChIKeyPHSGHTVPKPBNDK-UHFFFAOYSA-N
XLogP3.51
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium?
The IUPAC name of carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium (CID 59551853) is carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium.
What is the SMILES notation for carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium?
The canonical SMILES for carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium is COCc1cccc2nc([NH-])ccc12.[CH3-].[Y].
What is the InChIKey of carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium?
The InChIKey is PHSGHTVPKPBNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.CH3.Y/c1-14-7-8-3-2-4-10-9(8)5-6-11(12)13-10;;/h2-6H,7H2,1H3,(H-,12,13);1H3;/q2*-1;.
What are the key properties of carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium?
carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium has a molecular weight of 291.16 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[5-(methoxymethyl)quinolin-2-yl]azanide;yttrium is sourced from PubChem (CID 59551853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).