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

C20H24Cl2N2O — CID 10068261

IUPAC5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)n1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C20H24Cl2N2O/c1-13(2)24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)12-14/h6-9,12-13,18,23H,3-5,10-11H2,1-2H3
InChIKeyRBNPZZCPXPUOFM-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.95
Rot. Bonds5

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

5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10068261) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10068261
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)n1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C20H24Cl2N2O/c1-13(2)24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)12-14/h6-9,12-13,18,23H,3-5,10-11H2,1-2H3
InChIKeyRBNPZZCPXPUOFM-UHFFFAOYSA-N
XLogP4.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one (CID 10068261) is 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one is CC(C)n1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2.
What is the InChIKey of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is RBNPZZCPXPUOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c1-13(2)24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)12-14/h6-9,12-13,18,23H,3-5,10-11H2,1-2H3.
What are the key properties of 5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
5-[2-(3,4-dichlorophenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 379.33 g/mol, XLogP of 4.95, 5 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-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10068261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).