4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium

C13H7NOY-2 — CID 59724440

IUPAC4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium
SMILES[Y].[c-]1occc1-c1[c-]ncc2ccccc12
InChIInChI=1S/C13H7NO.Y/c1-2-4-12-10(3-1)7-14-8-13(12)11-5-6-15-9-11;/h1-7H;/q-2;
InChIKeyPWVBHPVJMIQZHH-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.09
Rot. Bonds1

About 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium

4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium (PubChem CID 59724440) has the molecular formula C13H7NOY-2 and a molecular weight of 282.11 g/mol. Its IUPAC name is 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium.

Molecular Properties

Compound Name4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium
PubChem CID59724440
Molecular FormulaC13H7NOY-2
Molecular Weight282.11 g/mol
Exact Mass281.96
IUPAC Name4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium
SMILES[Y].[c-]1occc1-c1[c-]ncc2ccccc12
InChIInChI=1S/C13H7NO.Y/c1-2-4-12-10(3-1)7-14-8-13(12)11-5-6-15-9-11;/h1-7H;/q-2;
InChIKeyPWVBHPVJMIQZHH-UHFFFAOYSA-N
XLogP3.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.09
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-(2H-naphthalen-2-id-1-yl)-2H-furan-2-ide;yttrium
CID 58813794
3-(2H-furan-2-id-3-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813789
ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)
CID 157453330
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium
CID 58813865
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
CID 174063651
CID 174063651
3,4-dichloroisoquinoline
CID 91477287
azane;2H-phthalazin-1-one;platinum(2+);dichloride
CID 15950509
isoquinolin-4-yl(trimethyl)silane
CID 130535883
2-naphthalen-1-yltriazole
CID 57075336
iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
CID 59404042
phenanthridine
CID 9189

Frequently Asked Questions

What is the IUPAC name of 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium?
The IUPAC name of 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium (CID 59724440) is 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium.
What is the SMILES notation for 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium?
The canonical SMILES for 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium is [Y].[c-]1occc1-c1[c-]ncc2ccccc12.
What is the InChIKey of 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium?
The InChIKey is PWVBHPVJMIQZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO.Y/c1-2-4-12-10(3-1)7-14-8-13(12)11-5-6-15-9-11;/h1-7H;/q-2;.
What are the key properties of 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium?
4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium has a molecular weight of 282.11 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-furan-2-id-3-yl)-3H-isoquinolin-3-ide;yttrium is sourced from PubChem (CID 59724440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).