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

C18H20Cl2N2O — CID 10383281

IUPAC5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C18H20Cl2N2O/c1-22-17-4-2-3-16(13(17)6-8-18(22)23)21-10-9-12-5-7-14(19)15(20)11-12/h5-8,11,16,21H,2-4,9-10H2,1H3
InChIKeyLTBWJTYKXRWIJQ-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.90
Rot. Bonds4

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

5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10383281) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10383281
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C18H20Cl2N2O/c1-22-17-4-2-3-16(13(17)6-8-18(22)23)21-10-9-12-5-7-14(19)15(20)11-12/h5-8,11,16,21H,2-4,9-10H2,1H3
InChIKeyLTBWJTYKXRWIJQ-UHFFFAOYSA-N
XLogP3.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 10383281) is 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is Cn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2.
What is the InChIKey of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is LTBWJTYKXRWIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-22-17-4-2-3-16(13(17)6-8-18(22)23)21-10-9-12-5-7-14(19)15(20)11-12/h5-8,11,16,21H,2-4,9-10H2,1H3.
What are the key properties of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 351.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10383281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).