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

C27H38Cl2N2O — CID 10028011

IUPAC1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCCCCCCCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C27H38Cl2N2O/c1-2-3-4-5-6-7-8-9-19-31-26-12-10-11-25(22(26)14-16-27(31)32)30-18-17-21-13-15-23(28)24(29)20-21/h13-16,20,25,30H,2-12,17-19H2,1H3
InChIKeyGYYSGASXMWPXSL-UHFFFAOYSA-N
MW477.52 g/mol
LogP7.51
Rot. Bonds13

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

1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10028011) has the molecular formula C27H38Cl2N2O and a molecular weight of 477.52 g/mol. Its IUPAC name is 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10028011
Molecular FormulaC27H38Cl2N2O
Molecular Weight477.52 g/mol
Exact Mass476.24
IUPAC Name1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCCCCCCCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C27H38Cl2N2O/c1-2-3-4-5-6-7-8-9-19-31-26-12-10-11-25(22(26)14-16-27(31)32)30-18-17-21-13-15-23(28)24(29)20-21/h13-16,20,25,30H,2-12,17-19H2,1H3
InChIKeyGYYSGASXMWPXSL-UHFFFAOYSA-N
XLogP7.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-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 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 10028011) is 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one is CCCCCCCCCCn1c2c(ccc1=O)C(NCCc1ccc(Cl)c(Cl)c1)CCC2.
What is the InChIKey of 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is GYYSGASXMWPXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38Cl2N2O/c1-2-3-4-5-6-7-8-9-19-31-26-12-10-11-25(22(26)14-16-27(31)32)30-18-17-21-13-15-23(28)24(29)20-21/h13-16,20,25,30H,2-12,17-19H2,1H3.
What are the key properties of 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 477.52 g/mol, XLogP of 7.51, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-5-[2-(3,4-dichlorophenyl)ethylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10028011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).