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

C26H18N4OS2 — CID 6882954

IUPACN-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc(/N=C/c3cccs3)cc2)nc2ccccc12
InChIInChI=1S/C26H18N4OS2/c31-26(30-28-17-21-6-4-14-33-21)23-15-25(29-24-8-2-1-7-22(23)24)18-9-11-19(12-10-18)27-16-20-5-3-13-32-20/h1-17H,(H,30,31)/b27-16+,28-17+
InChIKeyQGZLACFZPOOXRR-ODBZBXGJSA-N
MW466.59 g/mol
LogP6.54
Rot. Bonds6

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

N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide (PubChem CID 6882954) has the molecular formula C26H18N4OS2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
PubChem CID6882954
Molecular FormulaC26H18N4OS2
Molecular Weight466.59 g/mol
Exact Mass466.09
IUPAC NameN-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc(/N=C/c3cccs3)cc2)nc2ccccc12
InChIInChI=1S/C26H18N4OS2/c31-26(30-28-17-21-6-4-14-33-21)23-15-25(29-24-8-2-1-7-22(23)24)18-9-11-19(12-10-18)27-16-20-5-3-13-32-20/h1-17H,(H,30,31)/b27-16+,28-17+
InChIKeyQGZLACFZPOOXRR-ODBZBXGJSA-N
XLogP6.54
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933730
2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
CID 7933727
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6873662
2-(4-chlorophenyl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6006642
2-(4-fluorophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
CID 16553728
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3469190
N-[(3-methylthiophen-2-yl)methylideneamino]-2-pyridin-1-ium-4-ylquinoline-4-carboxamide
CID 135505093

Frequently Asked Questions

What is the IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide (CID 6882954) is N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide is O=C(N/N=C/c1cccs1)c1cc(-c2ccc(/N=C/c3cccs3)cc2)nc2ccccc12.
What is the InChIKey of N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide?
The InChIKey is QGZLACFZPOOXRR-ODBZBXGJSA-N. The full InChI is InChI=1S/C26H18N4OS2/c31-26(30-28-17-21-6-4-14-33-21)23-15-25(29-24-8-2-1-7-22(23)24)18-9-11-19(12-10-18)27-16-20-5-3-13-32-20/h1-17H,(H,30,31)/b27-16+,28-17+.
What are the key properties of N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide?
N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 6882954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).