N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

C20H20ClN3 — CID 10315045

IUPACN-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESClc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1
InChIInChI=1S/C20H20ClN3/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14H2
InChIKeyVULJUBMONLMHMI-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.57
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 10315045) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID10315045
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESClc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1
InChIInChI=1S/C20H20ClN3/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14H2
InChIKeyVULJUBMONLMHMI-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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Related Compounds

Quinoline, 7-chloro-4-((4-(diethylamino)cyclohexyl)amino)-
CID 208605
7-chloro-N-(5-(pyrrolidin-1-yl)pentan-2-yl)quinolin-4-amine
CID 220624
N-[(3-Chloropyridin-2-yl)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 3411077
4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
CID 2729517
N-benzyl-7-chloroquinolin-4-amine
CID 4798096
4'-Dehydroxy-4'-fluoroamodiaquine
CID 9975633
7-chloro-N-[[2-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819808
3''-(3-Aminophenyl)epibatidine
CID 45378675
3''-(3-Dimethylaminophenyl)epibatidine
CID 45378677
N-[(3S)-azepan-3-yl]-7-phenylisoquinolin-5-amine
CID 156010224
7-phenyl-N-[(3S)-piperidin-3-yl]isoquinolin-5-amine
CID 156011444

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (CID 10315045) is N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is Clc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is VULJUBMONLMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14H2.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-[(2-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-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 10315045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).