2,6-diacetylquinoline-4-carbonitrile

C14H10N2O2 — CID 86028072

IUPAC2,6-diacetylquinoline-4-carbonitrile
SMILESCC(=O)c1ccc2nc(C(C)=O)cc(C#N)c2c1
InChIInChI=1S/C14H10N2O2/c1-8(17)10-3-4-13-12(5-10)11(7-15)6-14(16-13)9(2)18/h3-6H,1-2H3
InChIKeyYEUJDKKVMJXBCF-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.51
Rot. Bonds2

About 2,6-diacetylquinoline-4-carbonitrile

2,6-diacetylquinoline-4-carbonitrile (PubChem CID 86028072) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,6-diacetylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2,6-diacetylquinoline-4-carbonitrile
PubChem CID86028072
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2,6-diacetylquinoline-4-carbonitrile
SMILESCC(=O)c1ccc2nc(C(C)=O)cc(C#N)c2c1
InChIInChI=1S/C14H10N2O2/c1-8(17)10-3-4-13-12(5-10)11(7-15)6-14(16-13)9(2)18/h3-6H,1-2H3
InChIKeyYEUJDKKVMJXBCF-UHFFFAOYSA-N
XLogP2.51
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-6-[(Z)-1-methylsulfanylprop-1-enyl]quinoline-4-carboxylic acid
CID 143413294
5-acetyl-2-sulfanylbenzonitrile
CID 22351660
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
4-cyanonaphthalene-2,6-dicarboxylic acid
CID 132573257
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
1-(2-methylbenzotriazol-5-yl)ethanone
CID 84750928
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
3-(4-acetyl-2-nitrophenyl)prop-2-enenitrile
CID 169484244
acetonitrile;1-phenylethanone
CID 67822280
1-(6-methoxy-4-methylquinolin-2-yl)ethanone
CID 82576202
1-(3-chloro-2H-indazol-5-yl)ethanone
CID 69031597
2-chloro-6-methylquinoline-4-carbonitrile
CID 83638097

Frequently Asked Questions

What is the IUPAC name of 2,6-diacetylquinoline-4-carbonitrile?
The IUPAC name of 2,6-diacetylquinoline-4-carbonitrile (CID 86028072) is 2,6-diacetylquinoline-4-carbonitrile.
What is the SMILES notation for 2,6-diacetylquinoline-4-carbonitrile?
The canonical SMILES for 2,6-diacetylquinoline-4-carbonitrile is CC(=O)c1ccc2nc(C(C)=O)cc(C#N)c2c1.
What is the InChIKey of 2,6-diacetylquinoline-4-carbonitrile?
The InChIKey is YEUJDKKVMJXBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-8(17)10-3-4-13-12(5-10)11(7-15)6-14(16-13)9(2)18/h3-6H,1-2H3.
What are the key properties of 2,6-diacetylquinoline-4-carbonitrile?
2,6-diacetylquinoline-4-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diacetylquinoline-4-carbonitrile is sourced from PubChem (CID 86028072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).