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

C16H15N3O — CID 82572518

IUPAC1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine
SMILESCOc1nccc2ccc(NCc3ccncc3)cc12
InChIInChI=1S/C16H15N3O/c1-20-16-15-10-14(3-2-13(15)6-9-18-16)19-11-12-4-7-17-8-5-12/h2-10,19H,11H2,1H3
InChIKeyGWALAWQYDWKABS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds4

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

1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine (PubChem CID 82572518) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine.

Molecular Properties

Compound Name1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine
PubChem CID82572518
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine
SMILESCOc1nccc2ccc(NCc3ccncc3)cc12
InChIInChI=1S/C16H15N3O/c1-20-16-15-10-14(3-2-13(15)6-9-18-16)19-11-12-4-7-17-8-5-12/h2-10,19H,11H2,1H3
InChIKeyGWALAWQYDWKABS-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

N-(1-methoxyisoquinolin-7-yl)formamide
CID 168653057
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
2-[[(1-methoxyisoquinolin-7-yl)amino]methylidene]propanedinitrile
CID 168543664
2-(1-methoxyisoquinolin-7-yl)-2-methylpropan-1-ol
CID 117334513
7-bromo-1-methoxyisoquinoline
CID 67491611
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43731334
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773
2-methyl-4-(pyridin-4-ylmethylamino)phenol
CID 53404095
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine?
The IUPAC name of 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine (CID 82572518) is 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine.
What is the SMILES notation for 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine?
The canonical SMILES for 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine is COc1nccc2ccc(NCc3ccncc3)cc12.
What is the InChIKey of 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine?
The InChIKey is GWALAWQYDWKABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-15-10-14(3-2-13(15)6-9-18-16)19-11-12-4-7-17-8-5-12/h2-10,19H,11H2,1H3.
What are the key properties of 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine?
1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-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 1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine is sourced from PubChem (CID 82572518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).