2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline

C21H18N2O2 — CID 25267860

IUPAC2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline
SMILESCc1ccc2cccc(OCOc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C21H18N2O2/c1-14-9-11-16-5-3-7-18(20(16)22-14)24-13-25-19-8-4-6-17-12-10-15(2)23-21(17)19/h3-12H,13H2,1-2H3
InChIKeyMDLIQDOOXFARNK-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.82
Rot. Bonds4

About 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline

2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline (PubChem CID 25267860) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline.

Molecular Properties

Compound Name2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline
PubChem CID25267860
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline
SMILESCc1ccc2cccc(OCOc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C21H18N2O2/c1-14-9-11-16-5-3-7-18(20(16)22-14)24-13-25-19-8-4-6-17-12-10-15(2)23-21(17)19/h3-12H,13H2,1-2H3
InChIKeyMDLIQDOOXFARNK-UHFFFAOYSA-N
XLogP4.82
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline?
The IUPAC name of 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline (CID 25267860) is 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline.
What is the SMILES notation for 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline?
The canonical SMILES for 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline is Cc1ccc2cccc(OCOc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline?
The InChIKey is MDLIQDOOXFARNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-9-11-16-5-3-7-18(20(16)22-14)24-13-25-19-8-4-6-17-12-10-15(2)23-21(17)19/h3-12H,13H2,1-2H3.
What are the key properties of 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline?
2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline has a molecular weight of 330.39 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline is sourced from PubChem (CID 25267860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).