N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide

C20H19N3O2 — CID 24681832

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cccc3cccnc23)c1C
InChIInChI=1S/C20H19N3O2/c1-13-6-3-10-17(14(13)2)23-18(24)12-22-20(25)16-9-4-7-15-8-5-11-21-19(15)16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVRIMTAYPJKNSER-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.22
Rot. Bonds4

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide (PubChem CID 24681832) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide
PubChem CID24681832
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cccc3cccnc23)c1C
InChIInChI=1S/C20H19N3O2/c1-13-6-3-10-17(14(13)2)23-18(24)12-22-20(25)16-9-4-7-15-8-5-11-21-19(15)16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVRIMTAYPJKNSER-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-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

N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
CID 24681848
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide
CID 60622514
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(2,3-dimethylphenyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 53050227

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide (CID 24681832) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide is Cc1cccc(NC(=O)CNC(=O)c2cccc3cccnc23)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide?
The InChIKey is VRIMTAYPJKNSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-6-3-10-17(14(13)2)23-18(24)12-22-20(25)16-9-4-7-15-8-5-11-21-19(15)16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide is sourced from PubChem (CID 24681832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).