N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide

C19H19N3O3 — CID 71815611

IUPACN-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
SMILESCn1c(=O)c(CCCc2ccccc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C19H19N3O3/c1-22-17-11-10-14(18(23)21-25)12-16(17)20-15(19(22)24)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,25H,5,8-9H2,1H3,(H,21,23)
InChIKeyZEAPXOZRCLIYNT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.23
Rot. Bonds5

About N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide

N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide (PubChem CID 71815611) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
PubChem CID71815611
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
SMILESCn1c(=O)c(CCCc2ccccc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C19H19N3O3/c1-22-17-11-10-14(18(23)21-25)12-16(17)20-15(19(22)24)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,25H,5,8-9H2,1H3,(H,21,23)
InChIKeyZEAPXOZRCLIYNT-UHFFFAOYSA-N
XLogP2.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
CID 129309588
2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
CID 177372430
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
CID 11382208
N-hydroxy-2-(2-phenylethyl)indazole-6-carboxamide
CID 169188075
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543
(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11186705
N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
CID 177372418
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
CID 122690142
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide (CID 71815611) is N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide is Cn1c(=O)c(CCCc2ccccc2)nc2cc(C(=O)NO)ccc21.
What is the InChIKey of N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide?
The InChIKey is ZEAPXOZRCLIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-17-11-10-14(18(23)21-25)12-16(17)20-15(19(22)24)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,25H,5,8-9H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide?
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 71815611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).