6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline

C23H23N3 — CID 167945178

IUPAC6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline
SMILESc1cc(-c2ccc3cnccc3c2)c2ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C23H23N3/c1-2-12-25(11-1)14-15-26-13-9-22-21(4-3-5-23(22)26)19-6-7-20-17-24-10-8-18(20)16-19/h3-10,13,16-17H,1-2,11-12,14-15H2
InChIKeyKUKDPQLCZJESQX-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.95
Rot. Bonds4

About 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline

6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline (PubChem CID 167945178) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline.

Molecular Properties

Compound Name6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline
PubChem CID167945178
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline
SMILESc1cc(-c2ccc3cnccc3c2)c2ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C23H23N3/c1-2-12-25(11-1)14-15-26-13-9-22-21(4-3-5-23(22)26)19-6-7-20-17-24-10-8-18(20)16-19/h3-10,13,16-17H,1-2,11-12,14-15H2
InChIKeyKUKDPQLCZJESQX-UHFFFAOYSA-N
XLogP4.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 167975019
2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole
CID 167969080
4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 167921071
6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline
CID 166360060
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
6-(3-fluoranthen-3-ylphenyl)isoquinoline
CID 121287554
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
N-isoquinolin-6-yl-2-piperidin-1-ylacetamide
CID 134249863
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
CID 82792591
(3-isoquinolin-6-yl-2-methylphenyl)methanol
CID 138748878

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline?
The IUPAC name of 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline (CID 167945178) is 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline.
What is the SMILES notation for 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline?
The canonical SMILES for 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline is c1cc(-c2ccc3cnccc3c2)c2ccn(CCN3CCCC3)c2c1.
What is the InChIKey of 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline?
The InChIKey is KUKDPQLCZJESQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-12-25(11-1)14-15-26-13-9-22-21(4-3-5-23(22)26)19-6-7-20-17-24-10-8-18(20)16-19/h3-10,13,16-17H,1-2,11-12,14-15H2.
What are the key properties of 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline?
6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline has a molecular weight of 341.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline is sourced from PubChem (CID 167945178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).