6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol

C21H19N3O — CID 90729780

IUPAC6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol
SMILESOc1c2cc(N3CCCC3)ccc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C21H19N3O/c25-21-19-13-17(23-10-1-2-11-23)6-5-16(19)14-24(21)18-7-8-20-15(12-18)4-3-9-22-20/h3-9,12-14,25H,1-2,10-11H2
InChIKeyWPYJDMODJKIWNP-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.48
Rot. Bonds2

About 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol

6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol (PubChem CID 90729780) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol
PubChem CID90729780
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol
SMILESOc1c2cc(N3CCCC3)ccc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C21H19N3O/c25-21-19-13-17(23-10-1-2-11-23)6-5-16(19)14-24(21)18-7-8-20-15(12-18)4-3-9-22-20/h3-9,12-14,25H,1-2,10-11H2
InChIKeyWPYJDMODJKIWNP-UHFFFAOYSA-N
XLogP4.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol?
The IUPAC name of 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol (CID 90729780) is 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol.
What is the SMILES notation for 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol?
The canonical SMILES for 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol is Oc1c2cc(N3CCCC3)ccc2cn1-c1ccc2ncccc2c1.
What is the InChIKey of 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol?
The InChIKey is WPYJDMODJKIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21-19-13-17(23-10-1-2-11-23)6-5-16(19)14-24(21)18-7-8-20-15(12-18)4-3-9-22-20/h3-9,12-14,25H,1-2,10-11H2.
What are the key properties of 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol?
6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol has a molecular weight of 329.40 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-2-quinolin-6-ylisoindol-1-ol is sourced from PubChem (CID 90729780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).