N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C21H20N2O3 — CID 54680049

IUPACN-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccc(C)c(C)c2)c(O)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-4-11-23-17-8-6-5-7-16(17)19(24)18(21(23)26)20(25)22-15-10-9-13(2)14(3)12-15/h4-10,12,24H,1,11H2,2-3H3,(H,22,25)
InChIKeyUDOJLJKDZHGMOH-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.76
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54680049) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54680049
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccc(C)c(C)c2)c(O)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-4-11-23-17-8-6-5-7-16(17)19(24)18(21(23)26)20(25)22-15-10-9-13(2)14(3)12-15/h4-10,12,24H,1,11H2,2-3H3,(H,22,25)
InChIKeyUDOJLJKDZHGMOH-UHFFFAOYSA-N
XLogP3.76
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682095
N-(2-bromo-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682097
N-(2-chloroethyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54684051
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
CID 54676603
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
diethyl-[2-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl]-prop-2-enylazanium iodide
CID 54728780
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54719467
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 135632207
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54707022
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
1-(2,2-dimethylpropyl)-4-hydroxy-N-(4-iodophenyl)-2-oxoquinoline-3-carboxamide
CID 54693217
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54680049) is N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2ccc(C)c(C)c2)c(O)c2ccccc21.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is UDOJLJKDZHGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-4-11-23-17-8-6-5-7-16(17)19(24)18(21(23)26)20(25)22-15-10-9-13(2)14(3)12-15/h4-10,12,24H,1,11H2,2-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54680049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).