5-(2-methoxy-3-pyridinyl)isoquinoline

C15H12N2O — CID 102599406

IUPAC5-(2-methoxy-3-pyridinyl)isoquinoline
SMILESCOc1ncccc1-c1cccc2cnccc12
InChIInChI=1S/C15H12N2O/c1-18-15-14(6-3-8-17-15)13-5-2-4-11-10-16-9-7-12(11)13/h2-10H,1H3
InChIKeyFUMBPAHDZYCPED-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.31
Rot. Bonds2

About 5-(2-methoxy-3-pyridinyl)isoquinoline

5-(2-methoxy-3-pyridinyl)isoquinoline (PubChem CID 102599406) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(2-methoxy-3-pyridinyl)isoquinoline.

Molecular Properties

Compound Name5-(2-methoxy-3-pyridinyl)isoquinoline
PubChem CID102599406
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-(2-methoxy-3-pyridinyl)isoquinoline
SMILESCOc1ncccc1-c1cccc2cnccc12
InChIInChI=1S/C15H12N2O/c1-18-15-14(6-3-8-17-15)13-5-2-4-11-10-16-9-7-12(11)13/h2-10H,1H3
InChIKeyFUMBPAHDZYCPED-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
2-isoquinolin-5-ylaniline
CID 62812627
2-(2-methoxy-3-pyridinyl)-3H-imidazo[4,5-c]pyridine
CID 63268642
5-isoquinolin-5-yl-2-methoxyaniline
CID 62812119
5-pyrimidin-5-ylisoquinoline
CID 141337488
3-(2-isoquinolin-5-ylphenoxy)-N-methylpropan-1-amine
CID 56717167
8-methyl-5-quinolin-8-ylisoquinoline
CID 71214016
2-ethoxy-3-(3-methoxy-4-pyridinyl)pyridine
CID 162633135
5-(2-ethynylphenyl)isoquinoline
CID 172649261
3-(2-methoxy-3-pyridinyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59700021
isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
CID 105097605
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-pyridinyl)isoquinoline?
The IUPAC name of 5-(2-methoxy-3-pyridinyl)isoquinoline (CID 102599406) is 5-(2-methoxy-3-pyridinyl)isoquinoline.
What is the SMILES notation for 5-(2-methoxy-3-pyridinyl)isoquinoline?
The canonical SMILES for 5-(2-methoxy-3-pyridinyl)isoquinoline is COc1ncccc1-c1cccc2cnccc12.
What is the InChIKey of 5-(2-methoxy-3-pyridinyl)isoquinoline?
The InChIKey is FUMBPAHDZYCPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-18-15-14(6-3-8-17-15)13-5-2-4-11-10-16-9-7-12(11)13/h2-10H,1H3.
What are the key properties of 5-(2-methoxy-3-pyridinyl)isoquinoline?
5-(2-methoxy-3-pyridinyl)isoquinoline has a molecular weight of 236.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-pyridinyl)isoquinoline is sourced from PubChem (CID 102599406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).