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

C20H16N4O3 — CID 60506475

IUPACN-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H16N4O3/c21-9-13-5-7-14(8-6-13)10-23-18(25)12-24-20(27)16-11-22-17-4-2-1-3-15(17)19(16)26/h1-8,11H,10,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyNTCVCQXNESVJLU-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.45
Rot. Bonds5

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

N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 60506475) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID60506475
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H16N4O3/c21-9-13-5-7-14(8-6-13)10-23-18(25)12-24-20(27)16-11-22-17-4-2-1-3-15(17)19(16)26/h1-8,11H,10,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyNTCVCQXNESVJLU-UHFFFAOYSA-N
XLogP1.45
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
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
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
CID 55702331
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 60506475) is N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is N#Cc1ccc(CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NTCVCQXNESVJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c21-9-13-5-7-14(8-6-13)10-23-18(25)12-24-20(27)16-11-22-17-4-2-1-3-15(17)19(16)26/h1-8,11H,10,12H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 60506475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).