5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile

C13H14N2O — CID 58361855

IUPAC5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
SMILESCc1c(C)c2c(c(C)c1C#N)NC(=O)CC2
InChIInChI=1S/C13H14N2O/c1-7-8(2)11(6-14)9(3)13-10(7)4-5-12(16)15-13/h4-5H2,1-3H3,(H,15,16)
InChIKeyYVXIDHWSNKIEHS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.37
Rot. Bonds

About 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile

5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile (PubChem CID 58361855) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
PubChem CID58361855
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
SMILESCc1c(C)c2c(c(C)c1C#N)NC(=O)CC2
InChIInChI=1S/C13H14N2O/c1-7-8(2)11(6-14)9(3)13-10(7)4-5-12(16)15-13/h4-5H2,1-3H3,(H,15,16)
InChIKeyYVXIDHWSNKIEHS-UHFFFAOYSA-N
XLogP2.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-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 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
The IUPAC name of 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile (CID 58361855) is 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile.
What is the SMILES notation for 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
The canonical SMILES for 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile is Cc1c(C)c2c(c(C)c1C#N)NC(=O)CC2.
What is the InChIKey of 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
The InChIKey is YVXIDHWSNKIEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-7-8(2)11(6-14)9(3)13-10(7)4-5-12(16)15-13/h4-5H2,1-3H3,(H,15,16).
What are the key properties of 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile is sourced from PubChem (CID 58361855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).