6-methoxy-2-oxo-3H-quinoline-3-carbonitrile

C11H8N2O2 — CID 45025986

IUPAC6-methoxy-2-oxo-3H-quinoline-3-carbonitrile
SMILESCOc1ccc2c(c1)=CC(C#N)C(=O)N=2
InChIInChI=1S/C11H8N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5,8H,1H3
InChIKeySPKFLDGNFCEPAO-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.22
Rot. Bonds1

About 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile

6-methoxy-2-oxo-3H-quinoline-3-carbonitrile (PubChem CID 45025986) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-2-oxo-3H-quinoline-3-carbonitrile
PubChem CID45025986
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name6-methoxy-2-oxo-3H-quinoline-3-carbonitrile
SMILESCOc1ccc2c(c1)=CC(C#N)C(=O)N=2
InChIInChI=1S/C11H8N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5,8H,1H3
InChIKeySPKFLDGNFCEPAO-UHFFFAOYSA-N
XLogP-0.22
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-methyl-4aH-quinoxalin-2-one
CID 76851616
6-Methoxy-3-(oxomethylidene)quinolin-2-one
CID 77620999
6-methoxy-3-methyl-8aH-isoquinolin-1-one
CID 85438162

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile (CID 45025986) is 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile is COc1ccc2c(c1)=CC(C#N)C(=O)N=2.
What is the InChIKey of 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile?
The InChIKey is SPKFLDGNFCEPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5,8H,1H3.
What are the key properties of 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile?
6-methoxy-2-oxo-3H-quinoline-3-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 45025986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).