2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide

C26H25N3O2S — CID 5122874

IUPAC2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(CC)s3)c3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O2S/c1-4-20-14-15-25(32-20)17(3)28-29-26(30)22-16-24(27-23-9-7-6-8-21(22)23)18-10-12-19(13-11-18)31-5-2/h6-16H,4-5H2,1-3H3,(H,29,30)
InChIKeyKLJINHHZQPPXQQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP6.08
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide

2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide (PubChem CID 5122874) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
PubChem CID5122874
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(CC)s3)c3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O2S/c1-4-20-14-15-25(32-20)17(3)28-29-26(30)22-16-24(27-23-9-7-6-8-21(22)23)18-10-12-19(13-11-18)31-5-2/h6-16H,4-5H2,1-3H3,(H,29,30)
InChIKeyKLJINHHZQPPXQQ-UHFFFAOYSA-N
XLogP6.08
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 56.08
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

2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
2-(4-tert-butylphenyl)-N-[1-(5-chlorothiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 4205609
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-(2,4-dimethoxyphenyl)-N-[(E)-1-(5-ethylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide
CID 6106511
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3377350
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide (CID 5122874) is 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(CC)s3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
The InChIKey is KLJINHHZQPPXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-4-20-14-15-25(32-20)17(3)28-29-26(30)22-16-24(27-23-9-7-6-8-21(22)23)18-10-12-19(13-11-18)31-5-2/h6-16H,4-5H2,1-3H3,(H,29,30).
What are the key properties of 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5122874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).