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

C24H28N4O3 — CID 110339499

IUPACN-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCCCCCOc1ccccc1/C=N/NC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C24H28N4O3/c1-2-3-4-9-16-31-22-13-8-5-10-18(22)17-25-28-23(29)15-14-21-24(30)27-20-12-7-6-11-19(20)26-21/h5-8,10-13,17H,2-4,9,14-16H2,1H3,(H,27,30)(H,28,29)/b25-17+
InChIKeyISQLDVRXRQNKKD-KOEQRZSOSA-N
MW420.51 g/mol
LogP3.97
Rot. Bonds11

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

N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110339499) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110339499
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCCCCCOc1ccccc1/C=N/NC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C24H28N4O3/c1-2-3-4-9-16-31-22-13-8-5-10-18(22)17-25-28-23(29)15-14-21-24(30)27-20-12-7-6-11-19(20)26-21/h5-8,10-13,17H,2-4,9,14-16H2,1H3,(H,27,30)(H,28,29)/b25-17+
InChIKeyISQLDVRXRQNKKD-KOEQRZSOSA-N
XLogP3.97
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786975
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338901
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110509730
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
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-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538029
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339461
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538064
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338723

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110339499) is N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CCCCCCOc1ccccc1/C=N/NC(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is ISQLDVRXRQNKKD-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-2-3-4-9-16-31-22-13-8-5-10-18(22)17-25-28-23(29)15-14-21-24(30)27-20-12-7-6-11-19(20)26-21/h5-8,10-13,17H,2-4,9,14-16H2,1H3,(H,27,30)(H,28,29)/b25-17+.
What are the key properties of N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 3.97, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110339499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).