3,5,7-trimethylquinoline

C12H13N — CID 82111328

IUPAC3,5,7-trimethylquinoline
SMILESCc1cc(C)c2cc(C)cnc2c1
InChIInChI=1S/C12H13N/c1-8-4-10(3)11-5-9(2)7-13-12(11)6-8/h4-7H,1-3H3
InChIKeyTXGNFJZLXVHSDO-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.16
Rot. Bonds

About 3,5,7-trimethylquinoline

3,5,7-trimethylquinoline (PubChem CID 82111328) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,5,7-trimethylquinoline.

Molecular Properties

Compound Name3,5,7-trimethylquinoline
PubChem CID82111328
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3,5,7-trimethylquinoline
SMILESCc1cc(C)c2cc(C)cnc2c1
InChIInChI=1S/C12H13N/c1-8-4-10(3)11-5-9(2)7-13-12(11)6-8/h4-7H,1-3H3
InChIKeyTXGNFJZLXVHSDO-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

3-bromo-5,7-dimethylquinoline
CID 102493298
3,6,8-trimethylquinoline
CID 15109946
3,5,7-trimethylquinolin-2-amine;hydrochloride
CID 43865999
carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
2-methanidyl-3,5-dimethylpyridine;yttrium
CID 59928704
N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide
CID 139938842
1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
CID 169267261
3-methylcyclohepta[b]pyridin-5-one
CID 123494826
2,5,7-trimethylquinoline
CID 17039661
2,7-dimethyl-1,5-naphthyridine
CID 118411507
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine
CID 175679349

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethylquinoline?
The IUPAC name of 3,5,7-trimethylquinoline (CID 82111328) is 3,5,7-trimethylquinoline.
What is the SMILES notation for 3,5,7-trimethylquinoline?
The canonical SMILES for 3,5,7-trimethylquinoline is Cc1cc(C)c2cc(C)cnc2c1.
What is the InChIKey of 3,5,7-trimethylquinoline?
The InChIKey is TXGNFJZLXVHSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-4-10(3)11-5-9(2)7-13-12(11)6-8/h4-7H,1-3H3.
What are the key properties of 3,5,7-trimethylquinoline?
3,5,7-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 3,5,7-trimethylquinoline is sourced from PubChem (CID 82111328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).