N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C21H20N4O4 — CID 47056675

IUPACN-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C21H20N4O4/c1-13(26)25-15-6-4-5-14(9-15)10-23-19(27)12-24-21(29)17-11-22-18-8-3-2-7-16(18)20(17)28/h2-9,11H,10,12H2,1H3,(H,22,28)(H,23,27)(H,24,29)(H,25,26)
InChIKeyCSBHSJMXONTHOX-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 47056675) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID47056675
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C21H20N4O4/c1-13(26)25-15-6-4-5-14(9-15)10-23-19(27)12-24-21(29)17-11-22-18-8-3-2-7-16(18)20(17)28/h2-9,11H,10,12H2,1H3,(H,22,28)(H,23,27)(H,24,29)(H,25,26)
InChIKeyCSBHSJMXONTHOX-UHFFFAOYSA-N
XLogP1.53
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
N-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55976567
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55965165

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 47056675) is N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1.
What is the InChIKey of N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CSBHSJMXONTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13(26)25-15-6-4-5-14(9-15)10-23-19(27)12-24-21(29)17-11-22-18-8-3-2-7-16(18)20(17)28/h2-9,11H,10,12H2,1H3,(H,22,28)(H,23,27)(H,24,29)(H,25,26).
What are the key properties of N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 47056675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).