3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one

C22H26ClNO — CID 24989081

IUPAC3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(-c2cccc(Cl)c2)cc2c(n1CC1CCCCC1)CCCC2
InChIInChI=1S/C22H26ClNO/c23-19-11-6-10-17(13-19)20-14-18-9-4-5-12-21(18)24(22(20)25)15-16-7-2-1-3-8-16/h6,10-11,13-14,16H,1-5,7-9,12,15H2
InChIKeyZOTUKFYBVFVQPU-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.63
Rot. Bonds3

About 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one

3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 24989081) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID24989081
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(-c2cccc(Cl)c2)cc2c(n1CC1CCCCC1)CCCC2
InChIInChI=1S/C22H26ClNO/c23-19-11-6-10-17(13-19)20-14-18-9-4-5-12-21(18)24(22(20)25)15-16-7-2-1-3-8-16/h6,10-11,13-14,16H,1-5,7-9,12,15H2
InChIKeyZOTUKFYBVFVQPU-UHFFFAOYSA-N
XLogP5.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 24989081) is 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one is O=c1c(-c2cccc(Cl)c2)cc2c(n1CC1CCCCC1)CCCC2.
What is the InChIKey of 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ZOTUKFYBVFVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO/c23-19-11-6-10-17(13-19)20-14-18-9-4-5-12-21(18)24(22(20)25)15-16-7-2-1-3-8-16/h6,10-11,13-14,16H,1-5,7-9,12,15H2.
What are the key properties of 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 355.91 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(cyclohexylmethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 24989081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).