7-methyl-2-oxo-1H-quinoline-3-carbonitrile

C11H8N2O — CID 12871100

IUPAC7-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(=O)[nH]c2c1
InChIInChI=1S/C11H8N2O/c1-7-2-3-8-5-9(6-12)11(14)13-10(8)4-7/h2-5H,1H3,(H,13,14)
InChIKeyWYPKFBYYSKJVQB-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.71
Rot. Bonds

About 7-methyl-2-oxo-1H-quinoline-3-carbonitrile

7-methyl-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 12871100) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 7-methyl-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID12871100
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name7-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(=O)[nH]c2c1
InChIInChI=1S/C11H8N2O/c1-7-2-3-8-5-9(6-12)11(14)13-10(8)4-7/h2-5H,1H3,(H,13,14)
InChIKeyWYPKFBYYSKJVQB-UHFFFAOYSA-N
XLogP1.71
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 7-methyl-2-oxo-1H-quinoline-3-carbonitrile (CID 12871100) is 7-methyl-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 7-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 7-methyl-2-oxo-1H-quinoline-3-carbonitrile is Cc1ccc2cc(C#N)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is WYPKFBYYSKJVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-2-3-8-5-9(6-12)11(14)13-10(8)4-7/h2-5H,1H3,(H,13,14).
What are the key properties of 7-methyl-2-oxo-1H-quinoline-3-carbonitrile?
7-methyl-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 12871100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).