6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline

C21H20N2O2 — CID 68894802

IUPAC6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline
SMILESCc1ccc2cc(OCCCOc3cccc4[nH]ccc34)ccc2n1
InChIInChI=1S/C21H20N2O2/c1-15-6-7-16-14-17(8-9-19(16)23-15)24-12-3-13-25-21-5-2-4-20-18(21)10-11-22-20/h2,4-11,14,22H,3,12-13H2,1H3
InChIKeyUIGAYMYRXCWYMJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.87
Rot. Bonds6

About 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline

6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline (PubChem CID 68894802) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline.

Molecular Properties

Compound Name6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline
PubChem CID68894802
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline
SMILESCc1ccc2cc(OCCCOc3cccc4[nH]ccc34)ccc2n1
InChIInChI=1S/C21H20N2O2/c1-15-6-7-16-14-17(8-9-19(16)23-15)24-12-3-13-25-21-5-2-4-20-18(21)10-11-22-20/h2,4-11,14,22H,3,12-13H2,1H3
InChIKeyUIGAYMYRXCWYMJ-UHFFFAOYSA-N
XLogP4.87
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline?
The IUPAC name of 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline (CID 68894802) is 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline.
What is the SMILES notation for 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline?
The canonical SMILES for 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline is Cc1ccc2cc(OCCCOc3cccc4[nH]ccc34)ccc2n1.
What is the InChIKey of 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline?
The InChIKey is UIGAYMYRXCWYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-6-7-16-14-17(8-9-19(16)23-15)24-12-3-13-25-21-5-2-4-20-18(21)10-11-22-20/h2,4-11,14,22H,3,12-13H2,1H3.
What are the key properties of 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline?
6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline has a molecular weight of 332.40 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline is sourced from PubChem (CID 68894802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).