2,5,7-trimethylquinoline

C12H13N — CID 17039661

IUPAC2,5,7-trimethylquinoline
SMILESCc1cc(C)c2ccc(C)nc2c1
InChIInChI=1S/C12H13N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7H,1-3H3
InChIKeyKUDYKIJCJSRIBX-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.16
Rot. Bonds

About 2,5,7-trimethylquinoline

2,5,7-trimethylquinoline (PubChem CID 17039661) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,5,7-trimethylquinoline.

Molecular Properties

Compound Name2,5,7-trimethylquinoline
PubChem CID17039661
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,5,7-trimethylquinoline
SMILESCc1cc(C)c2ccc(C)nc2c1
InChIInChI=1S/C12H13N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7H,1-3H3
InChIKeyKUDYKIJCJSRIBX-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5,7-trimethylquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethylquinoline?
The IUPAC name of 2,5,7-trimethylquinoline (CID 17039661) is 2,5,7-trimethylquinoline.
What is the SMILES notation for 2,5,7-trimethylquinoline?
The canonical SMILES for 2,5,7-trimethylquinoline is Cc1cc(C)c2ccc(C)nc2c1.
What is the InChIKey of 2,5,7-trimethylquinoline?
The InChIKey is KUDYKIJCJSRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7H,1-3H3.
What are the key properties of 2,5,7-trimethylquinoline?
2,5,7-trimethylquinoline has a molecular weight of 171.24 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethylquinoline is sourced from PubChem (CID 17039661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).