3,4-dimethyl-2-methylidene-1H-quinoline

C12H13N — CID 166969735

IUPAC3,4-dimethyl-2-methylidene-1H-quinoline
SMILESC=C1Nc2ccccc2C(C)=C1C
InChIInChI=1S/C12H13N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h4-7,13H,3H2,1-2H3
InChIKeyLMDYRDOHAAWTIY-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.42
Rot. Bonds

About 3,4-dimethyl-2-methylidene-1H-quinoline

3,4-dimethyl-2-methylidene-1H-quinoline (PubChem CID 166969735) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,4-dimethyl-2-methylidene-1H-quinoline.

Molecular Properties

Compound Name3,4-dimethyl-2-methylidene-1H-quinoline
PubChem CID166969735
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3,4-dimethyl-2-methylidene-1H-quinoline
SMILESC=C1Nc2ccccc2C(C)=C1C
InChIInChI=1S/C12H13N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h4-7,13H,3H2,1-2H3
InChIKeyLMDYRDOHAAWTIY-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-methylidene-1H-quinoline?
The IUPAC name of 3,4-dimethyl-2-methylidene-1H-quinoline (CID 166969735) is 3,4-dimethyl-2-methylidene-1H-quinoline.
What is the SMILES notation for 3,4-dimethyl-2-methylidene-1H-quinoline?
The canonical SMILES for 3,4-dimethyl-2-methylidene-1H-quinoline is C=C1Nc2ccccc2C(C)=C1C.
What is the InChIKey of 3,4-dimethyl-2-methylidene-1H-quinoline?
The InChIKey is LMDYRDOHAAWTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h4-7,13H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-2-methylidene-1H-quinoline?
3,4-dimethyl-2-methylidene-1H-quinoline has a molecular weight of 171.24 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-methylidene-1H-quinoline is sourced from PubChem (CID 166969735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).