5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile

C16H11ClN2O2 — CID 62492902

IUPAC5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H11ClN2O2/c17-12-2-5-15(11(7-12)9-18)21-13-3-4-14-10(8-13)1-6-16(20)19-14/h2-5,7-8H,1,6H2,(H,19,20)
InChIKeyBGCPUDJAZPMNFX-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.89
Rot. Bonds2

About 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile

5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile (PubChem CID 62492902) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
PubChem CID62492902
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H11ClN2O2/c17-12-2-5-15(11(7-12)9-18)21-13-3-4-14-10(8-13)1-6-16(20)19-14/h2-5,7-8H,1,6H2,(H,19,20)
InChIKeyBGCPUDJAZPMNFX-UHFFFAOYSA-N
XLogP3.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 81273879
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridazine-4-carbonitrile
CID 80510072
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile
CID 24693753
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
7-amino-6-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449952
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658
6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 112725503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
The IUPAC name of 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile (CID 62492902) is 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
The canonical SMILES for 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile is N#Cc1cc(Cl)ccc1Oc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
The InChIKey is BGCPUDJAZPMNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-2-5-15(11(7-12)9-18)21-13-3-4-14-10(8-13)1-6-16(20)19-14/h2-5,7-8H,1,6H2,(H,19,20).
What are the key properties of 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile is sourced from PubChem (CID 62492902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).