6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile

C12H11N3O — CID 82241708

IUPAC6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile
SMILESCN(C)c1ccc2[nH]c(C#N)cc(=O)c2c1
InChIInChI=1S/C12H11N3O/c1-15(2)9-3-4-11-10(6-9)12(16)5-8(7-13)14-11/h3-6H,1-2H3,(H,14,16)
InChIKeyPCMZGQZIOVQOOJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.47
Rot. Bonds1

About 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile

6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile (PubChem CID 82241708) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile
PubChem CID82241708
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile
SMILESCN(C)c1ccc2[nH]c(C#N)cc(=O)c2c1
InChIInChI=1S/C12H11N3O/c1-15(2)9-3-4-11-10(6-9)12(16)5-8(7-13)14-11/h3-6H,1-2H3,(H,14,16)
InChIKeyPCMZGQZIOVQOOJ-UHFFFAOYSA-N
XLogP1.47
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile?
The IUPAC name of 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile (CID 82241708) is 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile.
What is the SMILES notation for 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile?
The canonical SMILES for 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile is CN(C)c1ccc2[nH]c(C#N)cc(=O)c2c1.
What is the InChIKey of 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile?
The InChIKey is PCMZGQZIOVQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-15(2)9-3-4-11-10(6-9)12(16)5-8(7-13)14-11/h3-6H,1-2H3,(H,14,16).
What are the key properties of 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile?
6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile is sourced from PubChem (CID 82241708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).