N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

C20H20FN3 — CID 10471319

IUPACN-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESFc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1
InChIInChI=1S/C20H20FN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
InChIKeyWAWIIKAKESUSCT-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.06
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 10471319) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID10471319
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESFc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1
InChIInChI=1S/C20H20FN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
InChIKeyWAWIIKAKESUSCT-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (CID 10471319) is N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is WAWIIKAKESUSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 321.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 10471319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).