8-methylisoquinoline

C10H9N — CID 3017364

IUPAC8-methylisoquinoline
SMILESCc1cccc2ccncc12
InChIInChI=1S/C10H9N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h2-7H,1H3
InChIKeyIEZFKBBOGATCFW-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.54
Rot. Bonds

About 8-methylisoquinoline

8-methylisoquinoline (PubChem CID 3017364) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 8-methylisoquinoline.

Molecular Properties

Compound Name8-methylisoquinoline
PubChem CID3017364
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name8-methylisoquinoline
SMILESCc1cccc2ccncc12
InChIInChI=1S/C10H9N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h2-7H,1H3
InChIKeyIEZFKBBOGATCFW-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

Quinoline
CID 7047
Paraquat
CID 15939
6-Methylquinoline
CID 7059
Isoquinoline
CID 8405
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
2-(3-Phenylpropyl)Pyridine
CID 459494
Lauryl Isoquinolinium Bromide
CID 7132

Frequently Asked Questions

What is the IUPAC name of 8-methylisoquinoline?
The IUPAC name of 8-methylisoquinoline (CID 3017364) is 8-methylisoquinoline.
What is the SMILES notation for 8-methylisoquinoline?
The canonical SMILES for 8-methylisoquinoline is Cc1cccc2ccncc12.
What is the InChIKey of 8-methylisoquinoline?
The InChIKey is IEZFKBBOGATCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h2-7H,1H3.
What are the key properties of 8-methylisoquinoline?
8-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 8-methylisoquinoline is sourced from PubChem (CID 3017364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).