6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine

C17H17N3O — CID 106540003

IUPAC6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCc3cnccc3C)nccc2c1
InChIInChI=1S/C17H17N3O/c1-12-5-7-18-10-14(12)11-20-17-16-4-3-15(21-2)9-13(16)6-8-19-17/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKTKSSKJITYQGBK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.56
Rot. Bonds4

About 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine

6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine (PubChem CID 106540003) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
PubChem CID106540003
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCc3cnccc3C)nccc2c1
InChIInChI=1S/C17H17N3O/c1-12-5-7-18-10-14(12)11-20-17-16-4-3-15(21-2)9-13(16)6-8-19-17/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKTKSSKJITYQGBK-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine
CID 106537699
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710
5-chloro-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114956672
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine (CID 106540003) is 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine is COc1ccc2c(NCc3cnccc3C)nccc2c1.
What is the InChIKey of 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine?
The InChIKey is KTKSSKJITYQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-7-18-10-14(12)11-20-17-16-4-3-15(21-2)9-13(16)6-8-19-17/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine?
6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine has a molecular weight of 279.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106540003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).