3,6,8-trimethylquinoline

C12H13N — CID 15109946

IUPAC3,6,8-trimethylquinoline
SMILESCc1cnc2c(C)cc(C)cc2c1
InChIInChI=1S/C12H13N/c1-8-4-10(3)12-11(5-8)6-9(2)7-13-12/h4-7H,1-3H3
InChIKeyQLKCPMJTBMUIGW-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.16
Rot. Bonds

About 3,6,8-trimethylquinoline

3,6,8-trimethylquinoline (PubChem CID 15109946) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,6,8-trimethylquinoline.

Molecular Properties

Compound Name3,6,8-trimethylquinoline
PubChem CID15109946
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3,6,8-trimethylquinoline
SMILESCc1cnc2c(C)cc(C)cc2c1
InChIInChI=1S/C12H13N/c1-8-4-10(3)12-11(5-8)6-9(2)7-13-12/h4-7H,1-3H3
InChIKeyQLKCPMJTBMUIGW-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

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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
2-Methylquinoline
CID 7060
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
2-(3-Phenylpropyl)Pyridine
CID 459494
8-Methylquinoline
CID 11910
2,6-Dimethylquinoline
CID 13414
1,7-Phenanthroline
CID 67473
3-Aminoquinoline
CID 11375
5-Aminoquinoline
CID 11911
3-Methylquinoline
CID 11926

Frequently Asked Questions

What is the IUPAC name of 3,6,8-trimethylquinoline?
The IUPAC name of 3,6,8-trimethylquinoline (CID 15109946) is 3,6,8-trimethylquinoline.
What is the SMILES notation for 3,6,8-trimethylquinoline?
The canonical SMILES for 3,6,8-trimethylquinoline is Cc1cnc2c(C)cc(C)cc2c1.
What is the InChIKey of 3,6,8-trimethylquinoline?
The InChIKey is QLKCPMJTBMUIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-4-10(3)12-11(5-8)6-9(2)7-13-12/h4-7H,1-3H3.
What are the key properties of 3,6,8-trimethylquinoline?
3,6,8-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 3,6,8-trimethylquinoline is sourced from PubChem (CID 15109946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).