1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile

C11H10N2O3 — CID 15947347

IUPAC1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCOn1c2c(cc(C#N)c1=O)C(=O)CCC2
InChIInChI=1S/C11H10N2O3/c1-16-13-9-3-2-4-10(14)8(9)5-7(6-12)11(13)15/h5H,2-4H2,1H3
InChIKeyGECZCGOONOQVLX-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.30
Rot. Bonds1

About 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile

1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 15947347) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID15947347
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCOn1c2c(cc(C#N)c1=O)C(=O)CCC2
InChIInChI=1S/C11H10N2O3/c1-16-13-9-3-2-4-10(14)8(9)5-7(6-12)11(13)15/h5H,2-4H2,1H3
InChIKeyGECZCGOONOQVLX-UHFFFAOYSA-N
XLogP0.30
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 15947347) is 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile is COn1c2c(cc(C#N)c1=O)C(=O)CCC2.
What is the InChIKey of 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is GECZCGOONOQVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-13-9-3-2-4-10(14)8(9)5-7(6-12)11(13)15/h5H,2-4H2,1H3.
What are the key properties of 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 218.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 15947347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).