N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

C20H17N3O3 — CID 54678204

IUPACN-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21
InChIInChI=1S/C20H17N3O3/c1-2-11-23-16-10-6-4-8-14(16)18(24)17(20(23)26)19(25)22-15-9-5-3-7-13(15)12-21/h3-10,24H,2,11H2,1H3,(H,22,25)
InChIKeyZWMCZMUXGLHSKJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.24
Rot. Bonds4

About N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54678204) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54678204
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21
InChIInChI=1S/C20H17N3O3/c1-2-11-23-16-10-6-4-8-14(16)18(24)17(20(23)26)19(25)22-15-9-5-3-7-13(15)12-21/h3-10,24H,2,11H2,1H3,(H,22,25)
InChIKeyZWMCZMUXGLHSKJ-UHFFFAOYSA-N
XLogP3.24
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54676325
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (CID 54678204) is N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21.
What is the InChIKey of N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is ZWMCZMUXGLHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-2-11-23-16-10-6-4-8-14(16)18(24)17(20(23)26)19(25)22-15-9-5-3-7-13(15)12-21/h3-10,24H,2,11H2,1H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54678204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).