4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

C21H16N2O3 — CID 2816518

IUPAC4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2
InChIInChI=1S/C21H16N2O3/c1-13(24)12-26-21-17(11-22)19(18-7-4-10-25-18)16-9-8-14-5-2-3-6-15(14)20(16)23-21/h2-7,10H,8-9,12H2,1H3
InChIKeyZNSXHPAUQOBJKS-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.95
Rot. Bonds4

About 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (PubChem CID 2816518) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
PubChem CID2816518
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2
InChIInChI=1S/C21H16N2O3/c1-13(24)12-26-21-17(11-22)19(18-7-4-10-25-18)16-9-8-14-5-2-3-6-15(14)20(16)23-21/h2-7,10H,8-9,12H2,1H3
InChIKeyZNSXHPAUQOBJKS-UHFFFAOYSA-N
XLogP3.95
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (CID 2816518) is 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is CC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2.
What is the InChIKey of 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The InChIKey is ZNSXHPAUQOBJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-13(24)12-26-21-17(11-22)19(18-7-4-10-25-18)16-9-8-14-5-2-3-6-15(14)20(16)23-21/h2-7,10H,8-9,12H2,1H3.
What are the key properties of 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 2816518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).