3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol

C19H24FN3O2 — CID 91050574

IUPAC3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol
SMILESCCN(CC)CCCNc1coc(-c2c(O)[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H24FN3O2/c1-3-23(4-2)9-5-8-21-14-11-17(25-12-14)18-15-7-6-13(20)10-16(15)22-19(18)24/h6-7,10-12,21-22,24H,3-5,8-9H2,1-2H3
InChIKeyAXAHXZRYRINUGZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.42
Rot. Bonds8

About 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol

3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol (PubChem CID 91050574) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol
PubChem CID91050574
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol
SMILESCCN(CC)CCCNc1coc(-c2c(O)[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H24FN3O2/c1-3-23(4-2)9-5-8-21-14-11-17(25-12-14)18-15-7-6-13(20)10-16(15)22-19(18)24/h6-7,10-12,21-22,24H,3-5,8-9H2,1-2H3
InChIKeyAXAHXZRYRINUGZ-UHFFFAOYSA-N
XLogP4.42
TPSA64.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.42
H-Bond Donors ≤ 53
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 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol (CID 91050574) is 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol is CCN(CC)CCCNc1coc(-c2c(O)[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol?
The InChIKey is AXAHXZRYRINUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-23(4-2)9-5-8-21-14-11-17(25-12-14)18-15-7-6-13(20)10-16(15)22-19(18)24/h6-7,10-12,21-22,24H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol?
3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol has a molecular weight of 345.42 g/mol, XLogP of 4.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol is sourced from PubChem (CID 91050574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).