7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile

C21H16N2O3 — CID 46298485

IUPAC7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)CC(c2ccco2)C3)c1
InChIInChI=1S/C21H16N2O3/c1-13-4-2-5-16(8-13)23-18-10-14(20-6-3-7-26-20)11-19(24)17(18)9-15(12-22)21(23)25/h2-9,14H,10-11H2,1H3
InChIKeyJBNFPTKJDGKSCC-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.52
Rot. Bonds2

About 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile

7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 46298485) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID46298485
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)CC(c2ccco2)C3)c1
InChIInChI=1S/C21H16N2O3/c1-13-4-2-5-16(8-13)23-18-10-14(20-6-3-7-26-20)11-19(24)17(18)9-15(12-22)21(23)25/h2-9,14H,10-11H2,1H3
InChIKeyJBNFPTKJDGKSCC-UHFFFAOYSA-N
XLogP3.52
TPSA76.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 46298485) is 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile is Cc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)CC(c2ccco2)C3)c1.
What is the InChIKey of 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is JBNFPTKJDGKSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-13-4-2-5-16(8-13)23-18-10-14(20-6-3-7-26-20)11-19(24)17(18)9-15(12-22)21(23)25/h2-9,14H,10-11H2,1H3.
What are the key properties of 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile?
7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-1-(3-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 46298485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).