7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine

C16H15N3O — CID 106537423

IUPAC7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3ccncc3)c2c1
InChIInChI=1S/C16H15N3O/c1-20-14-3-2-13-6-9-18-16(15(13)10-14)19-11-12-4-7-17-8-5-12/h2-10H,11H2,1H3,(H,18,19)
InChIKeyCCESDMRMGUKXMA-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds4

About 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine

7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine (PubChem CID 106537423) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
PubChem CID106537423
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3ccncc3)c2c1
InChIInChI=1S/C16H15N3O/c1-20-14-3-2-13-6-9-18-16(15(13)10-14)19-11-12-4-7-17-8-5-12/h2-10H,11H2,1H3,(H,18,19)
InChIKeyCCESDMRMGUKXMA-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(pyridin-4-ylmethyl)isoquinoline-1,7-diamine
CID 82570100
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106541048
7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
CID 106539104
7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
CID 106537936
7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
CID 106402604
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106539045
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine (CID 106537423) is 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine is COc1ccc2ccnc(NCc3ccncc3)c2c1.
What is the InChIKey of 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine?
The InChIKey is CCESDMRMGUKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-3-2-13-6-9-18-16(15(13)10-14)19-11-12-4-7-17-8-5-12/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine?
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 106537423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).