3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium

C18H10N2Y-2 — CID 58813743

IUPAC3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium
SMILES[Y].[c-]1ccc2ncccc2c1-c1[c-]c2ccccc2nc1
InChIInChI=1S/C18H10N2.Y/c1-2-8-17-13(5-1)11-14(12-20-17)15-6-3-9-18-16(15)7-4-10-19-18;/h1-5,7-10,12H;/q-2;
InChIKeyBEMZEVLCHKRPTA-UHFFFAOYSA-N
MW343.20 g/mol
LogP4.05
Rot. Bonds1

About 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium

3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium (PubChem CID 58813743) has the molecular formula C18H10N2Y-2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium.

Molecular Properties

Compound Name3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium
PubChem CID58813743
Molecular FormulaC18H10N2Y-2
Molecular Weight343.20 g/mol
Exact Mass342.99
IUPAC Name3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium
SMILES[Y].[c-]1ccc2ncccc2c1-c1[c-]c2ccccc2nc1
InChIInChI=1S/C18H10N2.Y/c1-2-8-17-13(5-1)11-14(12-20-17)15-6-3-9-18-16(15)7-4-10-19-18;/h1-5,7-10,12H;/q-2;
InChIKeyBEMZEVLCHKRPTA-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 54.05
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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Related Compounds

3-phenyl-4H-quinolin-4-ide;yttrium
CID 176728716
6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene
CID 129303441
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
hydron;quinoline
CID 131854096
4-chloro-N-pyrimidin-2-ylquinolin-3-amine
CID 42598988
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
iridium(3+);1,5-naphthyridine
CID 175728214
7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium
CID 58813499
2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
CID 162057595
[phenyl(quinolin-5-yl)methyl]hydrazine
CID 105199350
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
(2-quinolin-5-ylphenyl)methanol
CID 172649381

Frequently Asked Questions

What is the IUPAC name of 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium?
The IUPAC name of 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium (CID 58813743) is 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium.
What is the SMILES notation for 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium?
The canonical SMILES for 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium is [Y].[c-]1ccc2ncccc2c1-c1[c-]c2ccccc2nc1.
What is the InChIKey of 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium?
The InChIKey is BEMZEVLCHKRPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2.Y/c1-2-8-17-13(5-1)11-14(12-20-17)15-6-3-9-18-16(15)7-4-10-19-18;/h1-5,7-10,12H;/q-2;.
What are the key properties of 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium?
3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium has a molecular weight of 343.20 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium is sourced from PubChem (CID 58813743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).