2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

C22H18N4OS — CID 5454993

IUPAC2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1cccnc1
InChIInChI=1S/C22H18N4OS/c1-14-9-10-21(28-14)20-12-18(17-7-3-4-8-19(17)24-20)22(27)26-25-15(2)16-6-5-11-23-13-16/h3-13H,1-2H3,(H,26,27)/b25-15+
InChIKeyHFDRWXSCERROIK-MFKUBSTISA-N
MW386.48 g/mol
LogP4.82
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (PubChem CID 5454993) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
PubChem CID5454993
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1cccnc1
InChIInChI=1S/C22H18N4OS/c1-14-9-10-21(28-14)20-12-18(17-7-3-4-8-19(17)24-20)22(27)26-25-15(2)16-6-5-11-23-13-16/h3-13H,1-2H3,(H,26,27)/b25-15+
InChIKeyHFDRWXSCERROIK-MFKUBSTISA-N
XLogP4.82
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.82
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-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
2-cyclopropyl-N'-[(E)-pyridin-3-ylmethylidene]quinoline-4-carbohydrazide
CID 6884289
2-methyl-N'-[(E)-(6-methylpyridin-2-yl)methylidene]quinoline-4-carbohydrazide
CID 6884455
2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6884695
2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6884203
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
N'-[(5-ethyl-2-thienyl)methylene]-1H-indole-3-carbohydrazide
CID 5342196
2-(4,5-dimethylthiophen-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909281
N'-[(1E)-1-(5-methylthiophen-2-yl)ethylidene]-1H-indole-3-carbohydrazide
CID 5336353
2-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6884658
N'-[(E)-2-thienylmethylidene]-6-quinolinecarbohydrazide
CID 9559901
N'-[(1E)-1-(5-ethylthiophen-2-yl)ethylidene]-1H-indole-3-carbohydrazide
CID 9567055

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (CID 5454993) is 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1cccnc1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The InChIKey is HFDRWXSCERROIK-MFKUBSTISA-N. The full InChI is InChI=1S/C22H18N4OS/c1-14-9-10-21(28-14)20-12-18(17-7-3-4-8-19(17)24-20)22(27)26-25-15(2)16-6-5-11-23-13-16/h3-13H,1-2H3,(H,26,27)/b25-15+.
What are the key properties of 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5454993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).