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

C20H20ClN3 — CID 10427217

IUPACN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESClc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C20H20ClN3/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14H2
InChIKeyUHJHCLYQRUAKGN-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.57
Rot. Bonds4

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

N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 10427217) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID10427217
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESClc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C20H20ClN3/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14H2
InChIKeyUHJHCLYQRUAKGN-UHFFFAOYSA-N
XLogP4.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (CID 10427217) is N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is Clc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is UHJHCLYQRUAKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14H2.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 337.85 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 10427217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).