2,3-di(ethylidene)quinoline

C13H13N — CID 72554674

IUPAC2,3-di(ethylidene)quinoline
SMILESCC=c1cc2ccccc2nc1=CC
InChIInChI=1S/C13H13N/c1-3-10-9-11-7-5-6-8-13(11)14-12(10)4-2/h3-9H,1-2H3
InChIKeyJGSYMBNXEVYUAR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.84
Rot. Bonds

About 2,3-di(ethylidene)quinoline

2,3-di(ethylidene)quinoline (PubChem CID 72554674) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,3-di(ethylidene)quinoline.

Molecular Properties

Compound Name2,3-di(ethylidene)quinoline
PubChem CID72554674
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2,3-di(ethylidene)quinoline
SMILESCC=c1cc2ccccc2nc1=CC
InChIInChI=1S/C13H13N/c1-3-10-9-11-7-5-6-8-13(11)14-12(10)4-2/h3-9H,1-2H3
InChIKeyJGSYMBNXEVYUAR-UHFFFAOYSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(ethylidene)quinoline?
The IUPAC name of 2,3-di(ethylidene)quinoline (CID 72554674) is 2,3-di(ethylidene)quinoline.
What is the SMILES notation for 2,3-di(ethylidene)quinoline?
The canonical SMILES for 2,3-di(ethylidene)quinoline is CC=c1cc2ccccc2nc1=CC.
What is the InChIKey of 2,3-di(ethylidene)quinoline?
The InChIKey is JGSYMBNXEVYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-3-10-9-11-7-5-6-8-13(11)14-12(10)4-2/h3-9H,1-2H3.
What are the key properties of 2,3-di(ethylidene)quinoline?
2,3-di(ethylidene)quinoline has a molecular weight of 183.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(ethylidene)quinoline is sourced from PubChem (CID 72554674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).