7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine

C17H23N3O — CID 106540587

IUPAC7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
SMILESCCCN(c1nccc2ccc(OC)cc12)C1CCNC1
InChIInChI=1S/C17H23N3O/c1-3-10-20(14-7-8-18-12-14)17-16-11-15(21-2)5-4-13(16)6-9-19-17/h4-6,9,11,14,18H,3,7-8,10,12H2,1-2H3
InChIKeyHXYYXDLXBKFONL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds5

About 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine

7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine (PubChem CID 106540587) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
PubChem CID106540587
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
SMILESCCCN(c1nccc2ccc(OC)cc12)C1CCNC1
InChIInChI=1S/C17H23N3O/c1-3-10-20(14-7-8-18-12-14)17-16-11-15(21-2)5-4-13(16)6-9-19-17/h4-6,9,11,14,18H,3,7-8,10,12H2,1-2H3
InChIKeyHXYYXDLXBKFONL-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
CID 106540822
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 55205925
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
CID 107174267
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine (CID 106540587) is 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine is CCCN(c1nccc2ccc(OC)cc12)C1CCNC1.
What is the InChIKey of 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
The InChIKey is HXYYXDLXBKFONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-10-20(14-7-8-18-12-14)17-16-11-15(21-2)5-4-13(16)6-9-19-17/h4-6,9,11,14,18H,3,7-8,10,12H2,1-2H3.
What are the key properties of 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine is sourced from PubChem (CID 106540587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).