6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium

C10H7INOY- — CID 59094603

IUPAC6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium
SMILESCc1c[nH]c2[c-]cc(I)cc2c1=O.[Y]
InChIInChI=1S/C10H7INO.Y/c1-6-5-12-9-3-2-7(11)4-8(9)10(6)13;/h2,4-5H,1H3,(H,12,13);/q-1;
InChIKeyVGQAGVHJWFLBGO-UHFFFAOYSA-N
MW372.98 g/mol
LogP2.24
Rot. Bonds

About 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium

6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium (PubChem CID 59094603) has the molecular formula C10H7INOY- and a molecular weight of 372.98 g/mol. Its IUPAC name is 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium.

Molecular Properties

Compound Name6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium
PubChem CID59094603
Molecular FormulaC10H7INOY-
Molecular Weight372.98 g/mol
Exact Mass372.86
IUPAC Name6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium
SMILESCc1c[nH]c2[c-]cc(I)cc2c1=O.[Y]
InChIInChI=1S/C10H7INO.Y/c1-6-5-12-9-3-2-7(11)4-8(9)10(6)13;/h2,4-5H,1H3,(H,12,13);/q-1;
InChIKeyVGQAGVHJWFLBGO-UHFFFAOYSA-N
XLogP2.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.98
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium?
The IUPAC name of 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium (CID 59094603) is 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium.
What is the SMILES notation for 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium?
The canonical SMILES for 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium is Cc1c[nH]c2[c-]cc(I)cc2c1=O.[Y].
What is the InChIKey of 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium?
The InChIKey is VGQAGVHJWFLBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7INO.Y/c1-6-5-12-9-3-2-7(11)4-8(9)10(6)13;/h2,4-5H,1H3,(H,12,13);/q-1;.
What are the key properties of 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium?
6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium has a molecular weight of 372.98 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium is sourced from PubChem (CID 59094603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).