2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile

C18H14N2O — CID 59596117

IUPAC2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile
SMILESCc1cc2cc(C(C#N)c3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C18H14N2O/c1-12-9-15-10-14(7-8-17(15)20-18(12)21)16(11-19)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,20,21)
InChIKeyVUFIMLMOZAMRRC-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.49
Rot. Bonds2

About 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile

2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile (PubChem CID 59596117) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile
PubChem CID59596117
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile
SMILESCc1cc2cc(C(C#N)c3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C18H14N2O/c1-12-9-15-10-14(7-8-17(15)20-18(12)21)16(11-19)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,20,21)
InChIKeyVUFIMLMOZAMRRC-UHFFFAOYSA-N
XLogP3.49
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile 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 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile?
The IUPAC name of 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile (CID 59596117) is 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile?
The canonical SMILES for 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile is Cc1cc2cc(C(C#N)c3ccccc3)ccc2[nH]c1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile?
The InChIKey is VUFIMLMOZAMRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-9-15-10-14(7-8-17(15)20-18(12)21)16(11-19)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,20,21).
What are the key properties of 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile?
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile is sourced from PubChem (CID 59596117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).