N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C18H16N4O2 — CID 6877145

IUPACN-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccccc1
InChIInChI=1S/C18H16N4O2/c23-17(22-19-12-13-6-2-1-3-7-13)11-10-16-18(24)21-15-9-5-4-8-14(15)20-16/h1-9,12H,10-11H2,(H,21,24)(H,22,23)/b19-12+
InChIKeyUPEDNAYQNVIMBM-XDHOZWIPSA-N
MW320.35 g/mol
LogP2.01
Rot. Bonds5

About N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 6877145) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID6877145
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccccc1
InChIInChI=1S/C18H16N4O2/c23-17(22-19-12-13-6-2-1-3-7-13)11-10-16-18(24)21-15-9-5-4-8-14(15)20-16/h1-9,12H,10-11H2,(H,21,24)(H,22,23)/b19-12+
InChIKeyUPEDNAYQNVIMBM-XDHOZWIPSA-N
XLogP2.01
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874
[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725
N-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538064
N-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338045
N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786973
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]propanamide
CID 110340847
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338901
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338723
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339461
[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 110341147
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538029

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 6877145) is N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is UPEDNAYQNVIMBM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17(22-19-12-13-6-2-1-3-7-13)11-10-16-18(24)21-15-9-5-4-8-14(15)20-16/h1-9,12H,10-11H2,(H,21,24)(H,22,23)/b19-12+.
What are the key properties of N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 320.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 6877145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).