1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol

C16H15N3O2 — CID 106537672

IUPAC1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
SMILESCOc1ncccc1CNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H15N3O2/c1-21-16-12(3-2-7-18-16)10-19-15-14-9-13(20)5-4-11(14)6-8-17-15/h2-9,20H,10H2,1H3,(H,17,19)
InChIKeyTZABLDUJSOFTGI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.96
Rot. Bonds4

About 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol

1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol (PubChem CID 106537672) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
PubChem CID106537672
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
SMILESCOc1ncccc1CNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H15N3O2/c1-21-16-12(3-2-7-18-16)10-19-15-14-9-13(20)5-4-11(14)6-8-17-15/h2-9,20H,10H2,1H3,(H,17,19)
InChIKeyTZABLDUJSOFTGI-UHFFFAOYSA-N
XLogP2.96
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
CID 114051199
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
CID 106192514
1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol
CID 106537754
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204100
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]acetate
CID 106537658
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol (CID 106537672) is 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol is COc1ncccc1CNc1nccc2ccc(O)cc12.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol?
The InChIKey is TZABLDUJSOFTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-16-12(3-2-7-18-16)10-19-15-14-9-13(20)5-4-11(14)6-8-17-15/h2-9,20H,10H2,1H3,(H,17,19).
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol?
1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol has a molecular weight of 281.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106537672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).