3-methylquinoline-5-carbonitrile

C11H8N2 — CID 23510421

IUPAC3-methylquinoline-5-carbonitrile
SMILESCc1cnc2cccc(C#N)c2c1
InChIInChI=1S/C11H8N2/c1-8-5-10-9(6-12)3-2-4-11(10)13-7-8/h2-5,7H,1H3
InChIKeyXMROGTGFFMNKHG-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.41
Rot. Bonds

About 3-methylquinoline-5-carbonitrile

3-methylquinoline-5-carbonitrile (PubChem CID 23510421) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-methylquinoline-5-carbonitrile.

Molecular Properties

Compound Name3-methylquinoline-5-carbonitrile
PubChem CID23510421
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name3-methylquinoline-5-carbonitrile
SMILESCc1cnc2cccc(C#N)c2c1
InChIInChI=1S/C11H8N2/c1-8-5-10-9(6-12)3-2-4-11(10)13-7-8/h2-5,7H,1H3
InChIKeyXMROGTGFFMNKHG-UHFFFAOYSA-N
XLogP2.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylquinoline-5-carbonitrile?
The IUPAC name of 3-methylquinoline-5-carbonitrile (CID 23510421) is 3-methylquinoline-5-carbonitrile.
What is the SMILES notation for 3-methylquinoline-5-carbonitrile?
The canonical SMILES for 3-methylquinoline-5-carbonitrile is Cc1cnc2cccc(C#N)c2c1.
What is the InChIKey of 3-methylquinoline-5-carbonitrile?
The InChIKey is XMROGTGFFMNKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-8-5-10-9(6-12)3-2-4-11(10)13-7-8/h2-5,7H,1H3.
What are the key properties of 3-methylquinoline-5-carbonitrile?
3-methylquinoline-5-carbonitrile has a molecular weight of 168.20 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylquinoline-5-carbonitrile is sourced from PubChem (CID 23510421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).