6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile

C12H10N2O3 — CID 11746430

IUPAC6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile
SMILESCOc1cc(OC)c2[nH]c(C#N)cc(=O)c2c1
InChIInChI=1S/C12H10N2O3/c1-16-8-4-9-10(15)3-7(6-13)14-12(9)11(5-8)17-2/h3-5H,1-2H3,(H,14,15)
InChIKeyPGONQBDUKBLEBI-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.42
Rot. Bonds2

About 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile

6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile (PubChem CID 11746430) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile
PubChem CID11746430
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile
SMILESCOc1cc(OC)c2[nH]c(C#N)cc(=O)c2c1
InChIInChI=1S/C12H10N2O3/c1-16-8-4-9-10(15)3-7(6-13)14-12(9)11(5-8)17-2/h3-5H,1-2H3,(H,14,15)
InChIKeyPGONQBDUKBLEBI-UHFFFAOYSA-N
XLogP1.42
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile?
The IUPAC name of 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile (CID 11746430) is 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile.
What is the SMILES notation for 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile?
The canonical SMILES for 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile is COc1cc(OC)c2[nH]c(C#N)cc(=O)c2c1.
What is the InChIKey of 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile?
The InChIKey is PGONQBDUKBLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-16-8-4-9-10(15)3-7(6-13)14-12(9)11(5-8)17-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile?
6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile has a molecular weight of 230.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile is sourced from PubChem (CID 11746430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).