N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H19Cl2N3O3 — CID 17497686

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H19Cl2N3O3/c1-2-25(11-18(27)24-19-14(21)4-3-5-15(19)22)20(28)13-6-8-16-12(10-13)7-9-17(26)23-16/h3-6,8,10H,2,7,9,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyIFNAMXCNXWIBSM-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.98
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 17497686) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID17497686
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H19Cl2N3O3/c1-2-25(11-18(27)24-19-14(21)4-3-5-15(19)22)20(28)13-6-8-16-12(10-13)7-9-17(26)23-16/h3-6,8,10H,2,7,9,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyIFNAMXCNXWIBSM-UHFFFAOYSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24656018
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-3-nitrobenzamide
CID 24553223
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide
CID 46490871
N-(2-ethyl-6-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858019
N-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 172894844
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24553211
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 17497686) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is IFNAMXCNXWIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-2-25(11-18(27)24-19-14(21)4-3-5-15(19)22)20(28)13-6-8-16-12(10-13)7-9-17(26)23-16/h3-6,8,10H,2,7,9,11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 420.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 17497686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).