2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine

C25H23N3O2 — CID 155519393

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine
SMILESCOc1ccc2[nH]cc(CCNCc3ccc(-c4cnc5ccccc5c4)o3)c2c1
InChIInChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3
InChIKeyLDFDHYVHCWAUGE-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.32
Rot. Bonds7

About 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine

2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine (PubChem CID 155519393) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine
PubChem CID155519393
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine
SMILESCOc1ccc2[nH]cc(CCNCc3ccc(-c4cnc5ccccc5c4)o3)c2c1
InChIInChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3
InChIKeyLDFDHYVHCWAUGE-UHFFFAOYSA-N
XLogP5.32
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine (CID 155519393) is 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine is COc1ccc2[nH]cc(CCNCc3ccc(-c4cnc5ccccc5c4)o3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?
The InChIKey is LDFDHYVHCWAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?
2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine has a molecular weight of 397.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 155519393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).