N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C22H22N4O4 — CID 55965165

IUPACN-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C22H22N4O4/c1-3-23-21(29)14-9-8-13(2)18(10-14)26-19(27)12-25-22(30)16-11-24-17-7-5-4-6-15(17)20(16)28/h4-11H,3,12H2,1-2H3,(H,23,29)(H,24,28)(H,25,30)(H,26,27)
InChIKeyRGLYZEAFFUIHBX-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.95
Rot. Bonds6

About N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 55965165) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID55965165
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C22H22N4O4/c1-3-23-21(29)14-9-8-13(2)18(10-14)26-19(27)12-25-22(30)16-11-24-17-7-5-4-6-15(17)20(16)28/h4-11H,3,12H2,1-2H3,(H,23,29)(H,24,28)(H,25,30)(H,26,27)
InChIKeyRGLYZEAFFUIHBX-UHFFFAOYSA-N
XLogP1.95
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
N-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55976567
N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 47056675
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 55965165) is N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1.
What is the InChIKey of N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is RGLYZEAFFUIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-3-23-21(29)14-9-8-13(2)18(10-14)26-19(27)12-25-22(30)16-11-24-17-7-5-4-6-15(17)20(16)28/h4-11H,3,12H2,1-2H3,(H,23,29)(H,24,28)(H,25,30)(H,26,27).
What are the key properties of N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55965165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).