6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one

C22H21FN2O3 — CID 11463128

IUPAC6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one
SMILESO=c1ccc2cc(OCCCNCCc3c[nH]c4ccc(F)cc34)ccc2o1
InChIInChI=1S/C22H21FN2O3/c23-17-3-5-20-19(13-17)16(14-25-20)8-10-24-9-1-11-27-18-4-6-21-15(12-18)2-7-22(26)28-21/h2-7,12-14,24-25H,1,8-11H2
InChIKeyYRTSMXDHELEYAQ-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.01
Rot. Bonds8

About 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one

6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one (PubChem CID 11463128) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one.

Molecular Properties

Compound Name6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one
PubChem CID11463128
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one
SMILESO=c1ccc2cc(OCCCNCCc3c[nH]c4ccc(F)cc34)ccc2o1
InChIInChI=1S/C22H21FN2O3/c23-17-3-5-20-19(13-17)16(14-25-20)8-10-24-9-1-11-27-18-4-6-21-15(12-18)2-7-22(26)28-21/h2-7,12-14,24-25H,1,8-11H2
InChIKeyYRTSMXDHELEYAQ-UHFFFAOYSA-N
XLogP4.01
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
CID 166157928
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
6-(2-hydroxyethoxy)chromen-2-one
CID 89388659
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-hydroxy-6-(2-oxochromen-6-yl)oxyhexanamide
CID 86580851
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
CID 54519508
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one?
The IUPAC name of 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one (CID 11463128) is 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one.
What is the SMILES notation for 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one?
The canonical SMILES for 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one is O=c1ccc2cc(OCCCNCCc3c[nH]c4ccc(F)cc34)ccc2o1.
What is the InChIKey of 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one?
The InChIKey is YRTSMXDHELEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-17-3-5-20-19(13-17)16(14-25-20)8-10-24-9-1-11-27-18-4-6-21-15(12-18)2-7-22(26)28-21/h2-7,12-14,24-25H,1,8-11H2.
What are the key properties of 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one?
6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one has a molecular weight of 380.42 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]propoxy]chromen-2-one is sourced from PubChem (CID 11463128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).