2-methylquinoline-4-carbonitrile

C11H8N2 — CID 657495

IUPAC2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C11H8N2/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,1H3
InChIKeyBQAMFFZNQIMHJG-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.41
Rot. Bonds

About 2-methylquinoline-4-carbonitrile

2-methylquinoline-4-carbonitrile (PubChem CID 657495) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-methylquinoline-4-carbonitrile
PubChem CID657495
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C11H8N2/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,1H3
InChIKeyBQAMFFZNQIMHJG-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 2-methylquinoline-4-carbonitrile?
The IUPAC name of 2-methylquinoline-4-carbonitrile (CID 657495) is 2-methylquinoline-4-carbonitrile.
What is the SMILES notation for 2-methylquinoline-4-carbonitrile?
The canonical SMILES for 2-methylquinoline-4-carbonitrile is Cc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-methylquinoline-4-carbonitrile?
The InChIKey is BQAMFFZNQIMHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,1H3.
What are the key properties of 2-methylquinoline-4-carbonitrile?
2-methylquinoline-4-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 2-methylquinoline-4-carbonitrile is sourced from PubChem (CID 657495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).