5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile

C12H10N2O3 — CID 22466603

IUPAC5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1ccc(OC)c2c(=O)c(C#N)c[nH]c12
InChIInChI=1S/C12H10N2O3/c1-16-8-3-4-9(17-2)11-10(8)12(15)7(5-13)6-14-11/h3-4,6H,1-2H3,(H,14,15)
InChIKeyORBNORBNTUFCFT-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.42
Rot. Bonds2

About 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile

5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 22466603) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID22466603
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1ccc(OC)c2c(=O)c(C#N)c[nH]c12
InChIInChI=1S/C12H10N2O3/c1-16-8-3-4-9(17-2)11-10(8)12(15)7(5-13)6-14-11/h3-4,6H,1-2H3,(H,14,15)
InChIKeyORBNORBNTUFCFT-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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Related Compounds

7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 69372063
4-methoxy-7-nitro-1H-indole-3-carbonitrile
CID 170949782
6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 103414597
5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile
CID 18738657
4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane
CID 142181995
2-(7-cyano-4-methoxy-1H-indol-3-yl)-2-oxoacetic acid
CID 59999563
3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
4-methoxy-3-(2,2,2-trifluoroacetyl)-1H-indole-7-carbonitrile
CID 59067902
5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 22953001
3-isocyanato-7-methoxy-4-methyl-1H-indole
CID 84619822
4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 24695119
2-(4-chloro-7-methoxy-1H-indol-3-yl)acetonitrile
CID 84787663

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile (CID 22466603) is 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile is COc1ccc(OC)c2c(=O)c(C#N)c[nH]c12.
What is the InChIKey of 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is ORBNORBNTUFCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-16-8-3-4-9(17-2)11-10(8)12(15)7(5-13)6-14-11/h3-4,6H,1-2H3,(H,14,15).
What are the key properties of 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile?
5,8-dimethoxy-4-oxo-1H-quinoline-3-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 5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 22466603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).