2-methoxyquinoline-7-carbonitrile

C11H8N2O — CID 131198350

IUPAC2-methoxyquinoline-7-carbonitrile
SMILESCOc1ccc2ccc(C#N)cc2n1
InChIInChI=1S/C11H8N2O/c1-14-11-5-4-9-3-2-8(7-12)6-10(9)13-11/h2-6H,1H3
InChIKeyZGDBJKZSNDIJAC-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.12
Rot. Bonds1

About 2-methoxyquinoline-7-carbonitrile

2-methoxyquinoline-7-carbonitrile (PubChem CID 131198350) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-methoxyquinoline-7-carbonitrile.

Molecular Properties

Compound Name2-methoxyquinoline-7-carbonitrile
PubChem CID131198350
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-methoxyquinoline-7-carbonitrile
SMILESCOc1ccc2ccc(C#N)cc2n1
InChIInChI=1S/C11H8N2O/c1-14-11-5-4-9-3-2-8(7-12)6-10(9)13-11/h2-6H,1H3
InChIKeyZGDBJKZSNDIJAC-UHFFFAOYSA-N
XLogP2.12
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyquinoline-7-carbonitrile?
The IUPAC name of 2-methoxyquinoline-7-carbonitrile (CID 131198350) is 2-methoxyquinoline-7-carbonitrile.
What is the SMILES notation for 2-methoxyquinoline-7-carbonitrile?
The canonical SMILES for 2-methoxyquinoline-7-carbonitrile is COc1ccc2ccc(C#N)cc2n1.
What is the InChIKey of 2-methoxyquinoline-7-carbonitrile?
The InChIKey is ZGDBJKZSNDIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-14-11-5-4-9-3-2-8(7-12)6-10(9)13-11/h2-6H,1H3.
What are the key properties of 2-methoxyquinoline-7-carbonitrile?
2-methoxyquinoline-7-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyquinoline-7-carbonitrile is sourced from PubChem (CID 131198350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).