2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide

C21H15N3O2S — CID 135647432

IUPAC2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C21H15N3O2S/c25-20-10-4-2-8-16(20)19-12-17(15-7-1-3-9-18(15)23-19)21(26)24-22-13-14-6-5-11-27-14/h1-13,25H,(H,24,26)/b22-13+
InChIKeyGXCCKSZICQMXQF-LPYMAVHISA-N
MW373.44 g/mol
LogP4.43
Rot. Bonds4

About 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide

2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 135647432) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID135647432
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C21H15N3O2S/c25-20-10-4-2-8-16(20)19-12-17(15-7-1-3-9-18(15)23-19)21(26)24-22-13-14-6-5-11-27-14/h1-13,25H,(H,24,26)/b22-13+
InChIKeyGXCCKSZICQMXQF-LPYMAVHISA-N
XLogP4.43
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
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-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
CID 6882954
2-(2-hydroxyphenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 135647424
2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505042
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6873662
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 4506513
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3469190
N-[(4-tert-butylphenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2348445
N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776658
N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 135501387
2-(2-hydroxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505035
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide (CID 135647432) is 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1cccs1)c1cc(-c2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is GXCCKSZICQMXQF-LPYMAVHISA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20-10-4-2-8-16(20)19-12-17(15-7-1-3-9-18(15)23-19)21(26)24-22-13-14-6-5-11-27-14/h1-13,25H,(H,24,26)/b22-13+.
What are the key properties of 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide?
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 135647432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).