(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium

C17H12NO2Y- — CID 166050630

IUPAC(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium
SMILESCc1c([C-]=O)cccc1Oc1ccnc2ccccc12.[Y]
InChIInChI=1S/C17H12NO2.Y/c1-12-13(11-19)5-4-8-16(12)20-17-9-10-18-15-7-3-2-6-14(15)17;/h2-10H,1H3;/q-1;
InChIKeyPUFZFGIBGMIFRX-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.79
Rot. Bonds3

About (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium

(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium (PubChem CID 166050630) has the molecular formula C17H12NO2Y- and a molecular weight of 351.19 g/mol. Its IUPAC name is (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium.

Molecular Properties

Compound Name(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium
PubChem CID166050630
Molecular FormulaC17H12NO2Y-
Molecular Weight351.19 g/mol
Exact Mass350.99
IUPAC Name(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium
SMILESCc1c([C-]=O)cccc1Oc1ccnc2ccccc12.[Y]
InChIInChI=1S/C17H12NO2.Y/c1-12-13(11-19)5-4-8-16(12)20-17-9-10-18-15-7-3-2-6-14(15)17;/h2-10H,1H3;/q-1;
InChIKeyPUFZFGIBGMIFRX-UHFFFAOYSA-N
XLogP3.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylphenoxy)quinoline
CID 12798303
2-quinolin-5-yloxybenzaldehyde
CID 103045116
4-methoxyquinoline;4-methylquinoline
CID 71009048
4-(trifluoromethoxy)quinoline
CID 118835416
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550
4-quinolin-5-yloxypyridin-3-amine
CID 103043914
5-(4-methoxyphenoxy)quinoline
CID 122457274
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione
CID 123536143
ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
CID 167643901
5-pyridin-4-yloxyquinoline
CID 91445201

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium?
The IUPAC name of (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium (CID 166050630) is (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium.
What is the SMILES notation for (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium?
The canonical SMILES for (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium is Cc1c([C-]=O)cccc1Oc1ccnc2ccccc12.[Y].
What is the InChIKey of (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium?
The InChIKey is PUFZFGIBGMIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12NO2.Y/c1-12-13(11-19)5-4-8-16(12)20-17-9-10-18-15-7-3-2-6-14(15)17;/h2-10H,1H3;/q-1;.
What are the key properties of (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium?
(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium has a molecular weight of 351.19 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium is sourced from PubChem (CID 166050630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).