N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide

C22H22N4O2 — CID 126025717

IUPACN-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide
SMILESCN(C)c1ccc(/C=C/C=N/NC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C22H22N4O2/c1-26(2)19-12-10-17(11-13-19)6-4-15-24-25-21(27)16-28-20-9-3-7-18-8-5-14-23-22(18)20/h3-15H,16H2,1-2H3,(H,25,27)/b6-4+,24-15+
InChIKeyYPYABPYUDCBIAK-DAJJOZHVSA-N
MW374.44 g/mol
LogP3.49
Rot. Bonds7

About N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide

N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide (PubChem CID 126025717) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide
PubChem CID126025717
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide
SMILESCN(C)c1ccc(/C=C/C=N/NC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C22H22N4O2/c1-26(2)19-12-10-17(11-13-19)6-4-15-24-25-21(27)16-28-20-9-3-7-18-8-5-14-23-22(18)20/h3-15H,16H2,1-2H3,(H,25,27)/b6-4+,24-15+
InChIKeyYPYABPYUDCBIAK-DAJJOZHVSA-N
XLogP3.49
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-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',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
2-[2-iodo-4-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126023421
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022963
N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025869
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide (CID 126025717) is N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide is CN(C)c1ccc(/C=C/C=N/NC(=O)COc2cccc3cccnc23)cc1.
What is the InChIKey of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide?
The InChIKey is YPYABPYUDCBIAK-DAJJOZHVSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26(2)19-12-10-17(11-13-19)6-4-15-24-25-21(27)16-28-20-9-3-7-18-8-5-14-23-22(18)20/h3-15H,16H2,1-2H3,(H,25,27)/b6-4+,24-15+.
What are the key properties of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide?
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide has a molecular weight of 374.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126025717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).