1,2,4-trimethyl-2H-quinoline

C12H15N — CID 19781411

IUPAC1,2,4-trimethyl-2H-quinoline
SMILESCC1=CC(C)N(C)c2ccccc21
InChIInChI=1S/C12H15N/c1-9-8-10(2)13(3)12-7-5-4-6-11(9)12/h4-8,10H,1-3H3
InChIKeyWADGLTKLZRMDRL-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.93
Rot. Bonds

About 1,2,4-trimethyl-2H-quinoline

1,2,4-trimethyl-2H-quinoline (PubChem CID 19781411) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,2,4-trimethyl-2H-quinoline.

Molecular Properties

Compound Name1,2,4-trimethyl-2H-quinoline
PubChem CID19781411
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1,2,4-trimethyl-2H-quinoline
SMILESCC1=CC(C)N(C)c2ccccc21
InChIInChI=1S/C12H15N/c1-9-8-10(2)13(3)12-7-5-4-6-11(9)12/h4-8,10H,1-3H3
InChIKeyWADGLTKLZRMDRL-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-2H-quinoline?
The IUPAC name of 1,2,4-trimethyl-2H-quinoline (CID 19781411) is 1,2,4-trimethyl-2H-quinoline.
What is the SMILES notation for 1,2,4-trimethyl-2H-quinoline?
The canonical SMILES for 1,2,4-trimethyl-2H-quinoline is CC1=CC(C)N(C)c2ccccc21.
What is the InChIKey of 1,2,4-trimethyl-2H-quinoline?
The InChIKey is WADGLTKLZRMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-8-10(2)13(3)12-7-5-4-6-11(9)12/h4-8,10H,1-3H3.
What are the key properties of 1,2,4-trimethyl-2H-quinoline?
1,2,4-trimethyl-2H-quinoline has a molecular weight of 173.26 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-2H-quinoline is sourced from PubChem (CID 19781411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).