2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide

C25H23N3OS — CID 6874988

IUPAC2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N3OS/c1-25(2,3)19-10-8-18(9-11-19)23-14-21(20-6-4-5-7-22(20)27-23)24(29)28-26-15-17-12-13-30-16-17/h4-16H,1-3H3,(H,28,29)/b26-15+
InChIKeyCEOXXNWETXPPQM-CVKSISIWSA-N
MW413.55 g/mol
LogP6.02
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide

2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6874988) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6874988
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N3OS/c1-25(2,3)19-10-8-18(9-11-19)23-14-21(20-6-4-5-7-22(20)27-23)24(29)28-26-15-17-12-13-30-16-17/h4-16H,1-3H3,(H,28,29)/b26-15+
InChIKeyCEOXXNWETXPPQM-CVKSISIWSA-N
XLogP6.02
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 56.02
H-Bond Donors ≤ 51
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'}

Analyze 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
CID 7933727
N-[(4-tert-butylphenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2348445
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
2-(4-tert-butylphenyl)-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]quinoline-4-carboxamide
CID 6007197
2-(4-tert-butylphenyl)-N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]quinoline-4-carboxamide
CID 4089934
2-(4-fluorophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 42991492
2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933730
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide (CID 6874988) is 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide is CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is CEOXXNWETXPPQM-CVKSISIWSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-25(2,3)19-10-8-18(9-11-19)23-14-21(20-6-4-5-7-22(20)27-23)24(29)28-26-15-17-12-13-30-16-17/h4-16H,1-3H3,(H,28,29)/b26-15+.
What are the key properties of 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 413.55 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6874988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).