1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol

C16H21N3O — CID 106543368

IUPAC1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol
SMILESNCCCC1CCCN1c1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O/c17-8-1-3-13-4-2-10-19(13)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,1-4,8,10,17H2
InChIKeyUKJISBOXXKHUFX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol

1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol (PubChem CID 106543368) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol
PubChem CID106543368
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol
SMILESNCCCC1CCCN1c1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O/c17-8-1-3-13-4-2-10-19(13)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,1-4,8,10,17H2
InChIKeyUKJISBOXXKHUFX-UHFFFAOYSA-N
XLogP2.65
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol?
The IUPAC name of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol (CID 106543368) is 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol?
The canonical SMILES for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol is NCCCC1CCCN1c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol?
The InChIKey is UKJISBOXXKHUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-8-1-3-13-4-2-10-19(13)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,1-4,8,10,17H2.
What are the key properties of 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol?
1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol has a molecular weight of 271.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol is sourced from PubChem (CID 106543368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).