4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

C17H16N2O2 — CID 856276

IUPAC4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCOc1ccc(-c2c3c([nH]c(=O)c2C#N)CCCC3)cc1
InChIInChI=1S/C17H16N2O2/c1-21-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)19-17(20)14(16)10-18/h6-9H,2-5H2,1H3,(H,19,20)
InChIKeyWVMKMEZHYXURSG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.80
Rot. Bonds2

About 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 856276) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID856276
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCOc1ccc(-c2c3c([nH]c(=O)c2C#N)CCCC3)cc1
InChIInChI=1S/C17H16N2O2/c1-21-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)19-17(20)14(16)10-18/h6-9H,2-5H2,1H3,(H,19,20)
InChIKeyWVMKMEZHYXURSG-UHFFFAOYSA-N
XLogP2.80
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 856276) is 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is COc1ccc(-c2c3c([nH]c(=O)c2C#N)CCCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is WVMKMEZHYXURSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)19-17(20)14(16)10-18/h6-9H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 856276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).