5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline

C22H18N2O — CID 46935830

IUPAC5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline
SMILESCc1cccc(COc2cccc3cnccc23)c1-c1ccccn1
InChIInChI=1S/C22H18N2O/c1-16-6-4-8-18(22(16)20-9-2-3-12-24-20)15-25-21-10-5-7-17-14-23-13-11-19(17)21/h2-14H,15H2,1H3
InChIKeyJEYUKFBAYWSFKI-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.18
Rot. Bonds4

About 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline

5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline (PubChem CID 46935830) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline.

Molecular Properties

Compound Name5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline
PubChem CID46935830
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline
SMILESCc1cccc(COc2cccc3cnccc23)c1-c1ccccn1
InChIInChI=1S/C22H18N2O/c1-16-6-4-8-18(22(16)20-9-2-3-12-24-20)15-25-21-10-5-7-17-14-23-13-11-19(17)21/h2-14H,15H2,1H3
InChIKeyJEYUKFBAYWSFKI-UHFFFAOYSA-N
XLogP5.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857
5-[[2-(2-chloro-4-fluorophenyl)phenyl]methoxy]isoquinoline
CID 46935828
3-(naphthalen-1-ylmethoxy)pyridin-4-amine
CID 10422219
4-[(4-methylnaphthalen-1-yl)oxymethyl]pyridin-3-amine
CID 91296316
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
3-(isoquinolin-5-yloxymethyl)benzoic acid
CID 12902801
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455
6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
CID 167020685
5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]isoquinoline;trihydrochloride
CID 21276129
N-[3,4-dichloro-2-(isoquinolin-5-yloxymethyl)phenyl]acetamide
CID 86198865
N-benzyl-1-isoquinolin-5-yloxy-3-methoxypropan-2-amine
CID 90668057
2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide
CID 143072918

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline?
The IUPAC name of 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline (CID 46935830) is 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline.
What is the SMILES notation for 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline?
The canonical SMILES for 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline is Cc1cccc(COc2cccc3cnccc23)c1-c1ccccn1.
What is the InChIKey of 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline?
The InChIKey is JEYUKFBAYWSFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-6-4-8-18(22(16)20-9-2-3-12-24-20)15-25-21-10-5-7-17-14-23-13-11-19(17)21/h2-14H,15H2,1H3.
What are the key properties of 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline?
5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline has a molecular weight of 326.40 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline is sourced from PubChem (CID 46935830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).