N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide

C22H23N3O3 — CID 126024146

IUPACN-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCC[C@H](C)Oc1ccccc1/C=N/NC(=O)COc1cccc2cccnc12
InChIInChI=1S/C22H23N3O3/c1-3-16(2)28-19-11-5-4-8-18(19)14-24-25-21(26)15-27-20-12-6-9-17-10-7-13-23-22(17)20/h4-14,16H,3,15H2,1-2H3,(H,25,26)/b24-14+/t16-/m0/s1
InChIKeyMIDMHMUUPPTETK-GCMSVZMUSA-N
MW377.44 g/mol
LogP3.94
Rot. Bonds8

About N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 126024146) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID126024146
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCC[C@H](C)Oc1ccccc1/C=N/NC(=O)COc1cccc2cccnc12
InChIInChI=1S/C22H23N3O3/c1-3-16(2)28-19-11-5-4-8-18(19)14-24-25-21(26)15-27-20-12-6-9-17-10-7-13-23-22(17)20/h4-14,16H,3,15H2,1-2H3,(H,25,26)/b24-14+/t16-/m0/s1
InChIKeyMIDMHMUUPPTETK-GCMSVZMUSA-N
XLogP3.94
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
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'}

Analyze N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030174
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023468
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028828
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
(2R)-2-[2-methoxy-4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 41271108
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide (CID 126024146) is N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide is CC[C@H](C)Oc1ccccc1/C=N/NC(=O)COc1cccc2cccnc12.
What is the InChIKey of N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is MIDMHMUUPPTETK-GCMSVZMUSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-16(2)28-19-11-5-4-8-18(19)14-24-25-21(26)15-27-20-12-6-9-17-10-7-13-23-22(17)20/h4-14,16H,3,15H2,1-2H3,(H,25,26)/b24-14+/t16-/m0/s1.
What are the key properties of N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 377.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126024146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).