5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine

C13H14FN3 — CID 82569993

IUPAC5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine
SMILESNc1ccc(F)c2ccnc(N3CCCC3)c12
InChIInChI=1S/C13H14FN3/c14-10-3-4-11(15)12-9(10)5-6-16-13(12)17-7-1-2-8-17/h3-6H,1-2,7-8,15H2
InChIKeyHKCYYBLEPUYICQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.56
Rot. Bonds1

About 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine

5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine (PubChem CID 82569993) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine.

Molecular Properties

Compound Name5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine
PubChem CID82569993
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine
SMILESNc1ccc(F)c2ccnc(N3CCCC3)c12
InChIInChI=1S/C13H14FN3/c14-10-3-4-11(15)12-9(10)5-6-16-13(12)17-7-1-2-8-17/h3-6H,1-2,7-8,15H2
InChIKeyHKCYYBLEPUYICQ-UHFFFAOYSA-N
XLogP2.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine
CID 82570042
1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine
CID 82570609
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
5-fluoro-1-N-phenylisoquinoline-1,8-diamine
CID 82570015
methyl 8-amino-5-fluoroisoquinoline-1-carboxylate
CID 82572045
2-(azepan-1-yl)-3,4-difluoroaniline
CID 62533316
5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine
CID 82570043
1-chloro-8-fluoroisoquinolin-5-amine
CID 115020872
1-N-butyl-5-fluoroisoquinoline-1,8-diamine
CID 82569994
1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
CID 107403613
1-piperidin-1-ylisoquinolin-8-ol
CID 136699648
2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline
CID 62733433

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine?
The IUPAC name of 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine (CID 82569993) is 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine.
What is the SMILES notation for 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine?
The canonical SMILES for 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine is Nc1ccc(F)c2ccnc(N3CCCC3)c12.
What is the InChIKey of 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine?
The InChIKey is HKCYYBLEPUYICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-10-3-4-11(15)12-9(10)5-6-16-13(12)17-7-1-2-8-17/h3-6H,1-2,7-8,15H2.
What are the key properties of 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine?
5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine has a molecular weight of 231.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-pyrrolidin-1-ylisoquinolin-8-amine is sourced from PubChem (CID 82569993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).