N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C16H14N4O3 — CID 112538062

IUPACN-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N/N=C\c1ccco1
InChIInChI=1S/C16H14N4O3/c21-15(20-17-10-11-4-3-9-23-11)8-7-14-16(22)19-13-6-2-1-5-12(13)18-14/h1-6,9-10H,7-8H2,(H,19,22)(H,20,21)/b17-10-
InChIKeyVPRNQIAGDNKUPU-YVLHZVERSA-N
MW310.31 g/mol
LogP1.60
Rot. Bonds5

About N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 112538062) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID112538062
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N/N=C\c1ccco1
InChIInChI=1S/C16H14N4O3/c21-15(20-17-10-11-4-3-9-23-11)8-7-14-16(22)19-13-6-2-1-5-12(13)18-14/h1-6,9-10H,7-8H2,(H,19,22)(H,20,21)/b17-10-
InChIKeyVPRNQIAGDNKUPU-YVLHZVERSA-N
XLogP1.60
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.60
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-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 3298414
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 110341147
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874
N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786973
[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725
N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339499
N-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538064
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338901
N-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338045
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786975

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 112538062) is N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C\c1ccco1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is VPRNQIAGDNKUPU-YVLHZVERSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-15(20-17-10-11-4-3-9-23-11)8-7-14-16(22)19-13-6-2-1-5-12(13)18-14/h1-6,9-10H,7-8H2,(H,19,22)(H,20,21)/b17-10-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 310.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 112538062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).