4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one

C20H20ClNO2 — CID 102443219

IUPAC4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CC(C(=O)c2ccc(Cl)cc2)c2c(C)cc(C)cc21
InChIInChI=1S/C20H20ClNO2/c1-4-22-17-10-12(2)9-13(3)19(17)16(11-18(22)23)20(24)14-5-7-15(21)8-6-14/h5-10,16H,4,11H2,1-3H3
InChIKeyJNGNGXCNIJHVDE-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.68
Rot. Bonds3

About 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one

4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 102443219) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID102443219
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CC(C(=O)c2ccc(Cl)cc2)c2c(C)cc(C)cc21
InChIInChI=1S/C20H20ClNO2/c1-4-22-17-10-12(2)9-13(3)19(17)16(11-18(22)23)20(24)14-5-7-15(21)8-6-14/h5-10,16H,4,11H2,1-3H3
InChIKeyJNGNGXCNIJHVDE-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-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 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one (CID 102443219) is 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CC(C(=O)c2ccc(Cl)cc2)c2c(C)cc(C)cc21.
What is the InChIKey of 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is JNGNGXCNIJHVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-4-22-17-10-12(2)9-13(3)19(17)16(11-18(22)23)20(24)14-5-7-15(21)8-6-14/h5-10,16H,4,11H2,1-3H3.
What are the key properties of 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 341.84 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 102443219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).