N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide

C17H14N4O3 — CID 90481653

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H14N4O3/c1-24-12-8-6-11(7-9-12)10-18-21-17(23)15-16(22)20-14-5-3-2-4-13(14)19-15/h2-10H,1H3,(H,20,22)(H,21,23)/b18-10+
InChIKeyWASMYUMAQONMLU-VCHYOVAHSA-N
MW322.32 g/mol
LogP1.70
Rot. Bonds4

About N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 90481653) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID90481653
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H14N4O3/c1-24-12-8-6-11(7-9-12)10-18-21-17(23)15-16(22)20-14-5-3-2-4-13(14)19-15/h2-10H,1H3,(H,20,22)(H,21,23)/b18-10+
InChIKeyWASMYUMAQONMLU-VCHYOVAHSA-N
XLogP1.70
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481651
N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627
3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 92929852
[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527260
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
N-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538064
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 6218782
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714407
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide (CID 90481653) is N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide is COc1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is WASMYUMAQONMLU-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-12-8-6-11(7-9-12)10-18-21-17(23)15-16(22)20-14-5-3-2-4-13(14)19-15/h2-10H,1H3,(H,20,22)(H,21,23)/b18-10+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 90481653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).