3,4-dimethylquinoline

C11H11N — CID 17091

IUPAC3,4-dimethylquinoline
SMILESCc1cnc2ccccc2c1C
InChIInChI=1S/C11H11N/c1-8-7-12-11-6-4-3-5-10(11)9(8)2/h3-7H,1-2H3
InChIKeyQOSYOGXDDHFINM-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.85
Rot. Bonds

About 3,4-dimethylquinoline

3,4-dimethylquinoline (PubChem CID 17091) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3,4-dimethylquinoline.

Molecular Properties

Compound Name3,4-dimethylquinoline
PubChem CID17091
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3,4-dimethylquinoline
SMILESCc1cnc2ccccc2c1C
InChIInChI=1S/C11H11N/c1-8-7-12-11-6-4-3-5-10(11)9(8)2/h3-7H,1-2H3
InChIKeyQOSYOGXDDHFINM-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylquinoline?
The IUPAC name of 3,4-dimethylquinoline (CID 17091) is 3,4-dimethylquinoline.
What is the SMILES notation for 3,4-dimethylquinoline?
The canonical SMILES for 3,4-dimethylquinoline is Cc1cnc2ccccc2c1C.
What is the InChIKey of 3,4-dimethylquinoline?
The InChIKey is QOSYOGXDDHFINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-8-7-12-11-6-4-3-5-10(11)9(8)2/h3-7H,1-2H3.
What are the key properties of 3,4-dimethylquinoline?
3,4-dimethylquinoline has a molecular weight of 157.22 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylquinoline is sourced from PubChem (CID 17091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).