N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide

C24H21N3O2S — CID 6874951

IUPACN-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)s1
InChIInChI=1S/C24H21N3O2S/c1-3-16-12-13-17(30-16)15-25-27-24(28)20-14-22(19-9-5-7-11-23(19)29-2)26-21-10-6-4-8-18(20)21/h4-15H,3H2,1-2H3,(H,27,28)/b25-15+
InChIKeyRKXWGCSSPMNCBL-MFKUBSTISA-N
MW415.52 g/mol
LogP5.30
Rot. Bonds6

About N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide

N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 6874951) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID6874951
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)s1
InChIInChI=1S/C24H21N3O2S/c1-3-16-12-13-17(30-16)15-25-27-24(28)20-14-22(19-9-5-7-11-23(19)29-2)26-21-10-6-4-8-18(20)21/h4-15H,3H2,1-2H3,(H,27,28)/b25-15+
InChIKeyRKXWGCSSPMNCBL-MFKUBSTISA-N
XLogP5.30
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.30
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'}

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Related Compounds

N'-(2-furylmethylene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6873468
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
N'-(2,3-dimethoxybenzylidene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 9617684
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6880179
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433358
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433359
N'-[3-(2-furyl)-2-methyl-2-propenylidene]-2-phenyl-4-quinolinecarbohydrazide
CID 6873142
2-(2-methoxyphenyl)-N'-[(3-methyl-2-thienyl)methylene]-4-quinolinecarbohydrazide
CID 6873639
N'-(3-{2-nitrophenyl}-2-propenylidene)-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6874756
N'-[(5-methyl-2-furyl)methylene]-2-propyl-4-quinolinecarbohydrazide
CID 6874900
2-(2-methoxyphenyl)-N'-(2-thienylmethylene)-4-quinolinecarbohydrazide
CID 6874962

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (CID 6874951) is N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is CCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)s1.
What is the InChIKey of N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is RKXWGCSSPMNCBL-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-3-16-12-13-17(30-16)15-25-27-24(28)20-14-22(19-9-5-7-11-23(19)29-2)26-21-10-6-4-8-18(20)21/h4-15H,3H2,1-2H3,(H,27,28)/b25-15+.
What are the key properties of N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6874951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).