1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one

C24H24Cl2N2O — CID 10094022

IUPAC1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1ccc2c(n1Cc1ccccc1)CCCC2NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O/c25-20-11-9-17(15-21(20)26)13-14-27-22-7-4-8-23-19(22)10-12-24(29)28(23)16-18-5-2-1-3-6-18/h1-3,5-6,9-12,15,22,27H,4,7-8,13-14,16H2
InChIKeyFFVGALPUFLHGTE-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.41
Rot. Bonds6

About 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one

1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10094022) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10094022
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC Name1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1ccc2c(n1Cc1ccccc1)CCCC2NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O/c25-20-11-9-17(15-21(20)26)13-14-27-22-7-4-8-23-19(22)10-12-24(29)28(23)16-18-5-2-1-3-6-18/h1-3,5-6,9-12,15,22,27H,4,7-8,13-14,16H2
InChIKeyFFVGALPUFLHGTE-UHFFFAOYSA-N
XLogP5.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 10094022) is 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one is O=c1ccc2c(n1Cc1ccccc1)CCCC2NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is FFVGALPUFLHGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c25-20-11-9-17(15-21(20)26)13-14-27-22-7-4-8-23-19(22)10-12-24(29)28(23)16-18-5-2-1-3-6-18/h1-3,5-6,9-12,15,22,27H,4,7-8,13-14,16H2.
What are the key properties of 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 427.38 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10094022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).