7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine

C15H19N3O — CID 107425236

IUPAC7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3(C)CCNC3)c2c1
InChIInChI=1S/C15H19N3O/c1-15(6-8-16-10-15)18-14-13-9-12(19-2)4-3-11(13)5-7-17-14/h3-5,7,9,16H,6,8,10H2,1-2H3,(H,17,18)
InChIKeyCUVJPHGZRYHLBN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds3

About 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine

7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine (PubChem CID 107425236) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine
PubChem CID107425236
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3(C)CCNC3)c2c1
InChIInChI=1S/C15H19N3O/c1-15(6-8-16-10-15)18-14-13-9-12(19-2)4-3-11(13)5-7-17-14/h3-5,7,9,16H,6,8,10H2,1-2H3,(H,17,18)
InChIKeyCUVJPHGZRYHLBN-UHFFFAOYSA-N
XLogP2.41
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106541117
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
5-methoxy-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425446
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine
CID 107488396
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine
CID 106543616
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
7-methoxy-N-piperidin-1-ylisoquinolin-1-amine
CID 106539299

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine (CID 107425236) is 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine is COc1ccc2ccnc(NC3(C)CCNC3)c2c1.
What is the InChIKey of 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine?
The InChIKey is CUVJPHGZRYHLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(6-8-16-10-15)18-14-13-9-12(19-2)4-3-11(13)5-7-17-14/h3-5,7,9,16H,6,8,10H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine?
7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 107425236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).