N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine

C16H21N3O — CID 106540581

IUPACN-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
SMILESCCN(c1nccc2cc(OC)ccc12)C1CCNC1
InChIInChI=1S/C16H21N3O/c1-3-19(13-7-8-17-11-13)16-15-5-4-14(20-2)10-12(15)6-9-18-16/h4-6,9-10,13,17H,3,7-8,11H2,1-2H3
InChIKeyUYYIMXCFZDGWCJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds4

About N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine

N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine (PubChem CID 106540581) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
PubChem CID106540581
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
SMILESCCN(c1nccc2cc(OC)ccc12)C1CCNC1
InChIInChI=1S/C16H21N3O/c1-3-19(13-7-8-17-11-13)16-15-5-4-14(20-2)10-12(15)6-9-18-16/h4-6,9-10,13,17H,3,7-8,11H2,1-2H3
InChIKeyUYYIMXCFZDGWCJ-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
CID 107174267
N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
CID 106540822
N-ethyl-5-methoxy-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 114600914
3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876124
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 106542356
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 63300307
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine?
The IUPAC name of N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine (CID 106540581) is N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine.
What is the SMILES notation for N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine?
The canonical SMILES for N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine is CCN(c1nccc2cc(OC)ccc12)C1CCNC1.
What is the InChIKey of N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine?
The InChIKey is UYYIMXCFZDGWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19(13-7-8-17-11-13)16-15-5-4-14(20-2)10-12(15)6-9-18-16/h4-6,9-10,13,17H,3,7-8,11H2,1-2H3.
What are the key properties of N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine?
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine is sourced from PubChem (CID 106540581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).