ethane;5-methylquinoline-8-carbonitrile

C13H14N2 — CID 143801649

IUPACethane;5-methylquinoline-8-carbonitrile
SMILESCC.Cc1ccc(C#N)c2ncccc12
InChIInChI=1S/C11H8N2.C2H6/c1-8-4-5-9(7-12)11-10(8)3-2-6-13-11;1-2/h2-6H,1H3;1-2H3
InChIKeyUYPIQAYRYSLGQW-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.44
Rot. Bonds

About ethane;5-methylquinoline-8-carbonitrile

ethane;5-methylquinoline-8-carbonitrile (PubChem CID 143801649) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;5-methylquinoline-8-carbonitrile.

Molecular Properties

Compound Nameethane;5-methylquinoline-8-carbonitrile
PubChem CID143801649
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Nameethane;5-methylquinoline-8-carbonitrile
SMILESCC.Cc1ccc(C#N)c2ncccc12
InChIInChI=1S/C11H8N2.C2H6/c1-8-4-5-9(7-12)11-10(8)3-2-6-13-11;1-2/h2-6H,1H3;1-2H3
InChIKeyUYPIQAYRYSLGQW-UHFFFAOYSA-N
XLogP3.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylquinoline-8-carbonitrile?
The IUPAC name of ethane;5-methylquinoline-8-carbonitrile (CID 143801649) is ethane;5-methylquinoline-8-carbonitrile.
What is the SMILES notation for ethane;5-methylquinoline-8-carbonitrile?
The canonical SMILES for ethane;5-methylquinoline-8-carbonitrile is CC.Cc1ccc(C#N)c2ncccc12.
What is the InChIKey of ethane;5-methylquinoline-8-carbonitrile?
The InChIKey is UYPIQAYRYSLGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2.C2H6/c1-8-4-5-9(7-12)11-10(8)3-2-6-13-11;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;5-methylquinoline-8-carbonitrile?
ethane;5-methylquinoline-8-carbonitrile has a molecular weight of 198.27 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylquinoline-8-carbonitrile is sourced from PubChem (CID 143801649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).