N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide

C19H13N3O2S — CID 3469190

IUPACN-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1ccco1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H13N3O2S/c23-19(22-20-12-13-5-3-9-24-13)15-11-17(18-8-4-10-25-18)21-16-7-2-1-6-14(15)16/h1-12H,(H,22,23)
InChIKeyGZJVVGCZEJZZKW-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.32
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide

N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3469190) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3469190
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC NameN-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1ccco1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H13N3O2S/c23-19(22-20-12-13-5-3-9-24-13)15-11-17(18-8-4-10-25-18)21-16-7-2-1-6-14(15)16/h1-12H,(H,22,23)
InChIKeyGZJVVGCZEJZZKW-UHFFFAOYSA-N
XLogP4.32
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.32
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-[(4-tert-butylphenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2348445
N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 135501387
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6873662
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6874751
[2,6-dimethoxy-4-[[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 4209915
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9080200
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616
2-(furan-2-yl)-N-[(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 2490689

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide (CID 3469190) is N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NN=Cc1ccco1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is GZJVVGCZEJZZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-19(22-20-12-13-5-3-9-24-13)15-11-17(18-8-4-10-25-18)21-16-7-2-1-6-14(15)16/h1-12H,(H,22,23).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3469190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).