2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile

C24H25ClN2O2 — CID 166980941

IUPAC2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCC(CCC3CCc4ncccc4C3=O)CC2)cc1Cl
InChIInChI=1S/C24H25ClN2O2/c25-22-14-20(11-7-18(22)15-26)29-19-9-4-16(5-10-19)3-6-17-8-12-23-21(24(17)28)2-1-13-27-23/h1-2,7,11,13-14,16-17,19H,3-6,8-10,12H2
InChIKeyQJFKIEWCTNJAFZ-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.77
Rot. Bonds5

About 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile

2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile (PubChem CID 166980941) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile
PubChem CID166980941
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCC(CCC3CCc4ncccc4C3=O)CC2)cc1Cl
InChIInChI=1S/C24H25ClN2O2/c25-22-14-20(11-7-18(22)15-26)29-19-9-4-16(5-10-19)3-6-17-8-12-23-21(24(17)28)2-1-13-27-23/h1-2,7,11,13-14,16-17,19H,3-6,8-10,12H2
InChIKeyQJFKIEWCTNJAFZ-UHFFFAOYSA-N
XLogP5.77
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile with MolForge

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Related Compounds

2-chloro-4-[[5-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]benzonitrile
CID 155218670
2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 163931755
4-[4-(2-bromoacetyl)cyclohexyl]oxy-2-chlorobenzonitrile
CID 134441275
2-chloro-4-[4-(1-methylpyrazol-3-yl)cyclohexyl]oxybenzonitrile
CID 134413704
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
2-chloro-4-[(1R,3R)-3-methylcyclohexyl]oxybenzonitrile
CID 58587579
2-chloro-4-[4-(1-methyl-5-sulfanylimidazol-2-yl)cyclohexyl]oxybenzonitrile
CID 134413709
N-[5-(3-chloro-4-cyanophenoxy)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyridine-2-carboxamide
CID 155219152
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
tert-butyl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-N-methylcarbamate
CID 155321924
6-fluoro-7,8-dihydro-6H-quinolin-5-one
CID 166885117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile?
The IUPAC name of 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile (CID 166980941) is 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile?
The canonical SMILES for 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile is N#Cc1ccc(OC2CCC(CCC3CCc4ncccc4C3=O)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile?
The InChIKey is QJFKIEWCTNJAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c25-22-14-20(11-7-18(22)15-26)29-19-9-4-16(5-10-19)3-6-17-8-12-23-21(24(17)28)2-1-13-27-23/h1-2,7,11,13-14,16-17,19H,3-6,8-10,12H2.
What are the key properties of 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile?
2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile has a molecular weight of 408.93 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)ethyl]cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 166980941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).