N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide

C23H16N4OS — CID 135501387

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H16N4OS/c28-23(27-25-14-15-13-24-19-8-3-1-6-16(15)19)18-12-21(22-10-5-11-29-22)26-20-9-4-2-7-17(18)20/h1-14,24H,(H,27,28)/b25-14+
InChIKeyPJVQUNGEKQYDCO-AFUMVMLFSA-N
MW396.48 g/mol
LogP5.21
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 135501387) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID135501387
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H16N4OS/c28-23(27-25-14-15-13-24-19-8-3-1-6-16(15)19)18-12-21(22-10-5-11-29-22)26-20-9-4-2-7-17(18)20/h1-14,24H,(H,27,28)/b25-14+
InChIKeyPJVQUNGEKQYDCO-AFUMVMLFSA-N
XLogP5.21
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(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-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6873662
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
CID 135647349
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
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide (CID 135501387) is N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is PJVQUNGEKQYDCO-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H16N4OS/c28-23(27-25-14-15-13-24-19-8-3-1-6-16(15)19)18-12-21(22-10-5-11-29-22)26-20-9-4-2-7-17(18)20/h1-14,24H,(H,27,28)/b25-14+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 135501387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).