N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C20H19ClN4O4 — CID 110509730

IUPACN-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCOc1ccc(/C=N\NC(=O)CCc2nc3ccccc3[nH]c2=O)c(Cl)c1OC
InChIInChI=1S/C20H19ClN4O4/c1-28-16-9-7-12(18(21)19(16)29-2)11-22-25-17(26)10-8-15-20(27)24-14-6-4-3-5-13(14)23-15/h3-7,9,11H,8,10H2,1-2H3,(H,24,27)(H,25,26)/b22-11-
InChIKeyCQHCBRHLCRVSEU-JJFYIABZSA-N
MW414.85 g/mol
LogP2.68
Rot. Bonds7

About N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110509730) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110509730
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCOc1ccc(/C=N\NC(=O)CCc2nc3ccccc3[nH]c2=O)c(Cl)c1OC
InChIInChI=1S/C20H19ClN4O4/c1-28-16-9-7-12(18(21)19(16)29-2)11-22-25-17(26)10-8-15-20(27)24-14-6-4-3-5-13(14)23-15/h3-7,9,11H,8,10H2,1-2H3,(H,24,27)(H,25,26)/b22-11-
InChIKeyCQHCBRHLCRVSEU-JJFYIABZSA-N
XLogP2.68
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide with MolForge

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Related Compounds

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339461
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339499
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786975
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-[(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-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538029
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]propanamide
CID 110340847
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110509730) is N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is COc1ccc(/C=N\NC(=O)CCc2nc3ccccc3[nH]c2=O)c(Cl)c1OC.
What is the InChIKey of N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is CQHCBRHLCRVSEU-JJFYIABZSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-28-16-9-7-12(18(21)19(16)29-2)11-22-25-17(26)10-8-15-20(27)24-14-6-4-3-5-13(14)23-15/h3-7,9,11H,8,10H2,1-2H3,(H,24,27)(H,25,26)/b22-11-.
What are the key properties of N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 414.85 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110509730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).