6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine

C16H21N3O — CID 106541129

IUPAC6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCC[C@H]3CCCN3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-20-14-4-5-15-12(11-14)6-9-18-16(15)19-10-7-13-3-2-8-17-13/h4-6,9,11,13,17H,2-3,7-8,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyVEJGXPSMXCCRMN-CYBMUJFWSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds5

About 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine

6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine (PubChem CID 106541129) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
PubChem CID106541129
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCC[C@H]3CCCN3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-20-14-4-5-15-12(11-14)6-9-18-16(15)19-10-7-13-3-2-8-17-13/h4-6,9,11,13,17H,2-3,7-8,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyVEJGXPSMXCCRMN-CYBMUJFWSA-N
XLogP2.80
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839
6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
CID 116995390
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 115054238
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]pyridin-4-amine
CID 114794635
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine (CID 106541129) is 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine is COc1ccc2c(NCC[C@H]3CCCN3)nccc2c1.
What is the InChIKey of 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine?
The InChIKey is VEJGXPSMXCCRMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-4-5-15-12(11-14)6-9-18-16(15)19-10-7-13-3-2-8-17-13/h4-6,9,11,13,17H,2-3,7-8,10H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine?
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine is sourced from PubChem (CID 106541129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).