5-methylisoquinoline

C10H9N — CID 3085255

IUPAC5-methylisoquinoline
SMILESCc1cccc2cnccc12
InChIInChI=1S/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-7H,1H3
InChIKeyQHRZMGDJNNDMGZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.54
Rot. Bonds

About 5-methylisoquinoline

5-methylisoquinoline (PubChem CID 3085255) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-methylisoquinoline.

Molecular Properties

Compound Name5-methylisoquinoline
PubChem CID3085255
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name5-methylisoquinoline
SMILESCc1cccc2cnccc12
InChIInChI=1S/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-7H,1H3
InChIKeyQHRZMGDJNNDMGZ-UHFFFAOYSA-N
XLogP2.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(+-)-Dimethindene
CID 21855
Quinoline
CID 7047
Pheniramine
CID 4761
6-Methylquinoline
CID 7059
Isoquinoline
CID 8405
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
3-Ethylpyridine
CID 10823
Benzo(F)Quinoline
CID 6796
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307

Frequently Asked Questions

What is the IUPAC name of 5-methylisoquinoline?
The IUPAC name of 5-methylisoquinoline (CID 3085255) is 5-methylisoquinoline.
What is the SMILES notation for 5-methylisoquinoline?
The canonical SMILES for 5-methylisoquinoline is Cc1cccc2cnccc12.
What is the InChIKey of 5-methylisoquinoline?
The InChIKey is QHRZMGDJNNDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-7H,1H3.
What are the key properties of 5-methylisoquinoline?
5-methylisoquinoline has a molecular weight of 143.19 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylisoquinoline is sourced from PubChem (CID 3085255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).