2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide

C23H19N3OS — CID 7933730

IUPAC2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3ccc(C)s3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3OS/c1-15-7-10-17(11-8-15)22-13-20(19-5-3-4-6-21(19)25-22)23(27)26-24-14-18-12-9-16(2)28-18/h3-14H,1-2H3,(H,26,27)/b24-14-
InChIKeyFXVSOPKMRBVKFZ-OYKKKHCWSA-N
MW385.49 g/mol
LogP5.34
Rot. Bonds4

About 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide

2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 7933730) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID7933730
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3ccc(C)s3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3OS/c1-15-7-10-17(11-8-15)22-13-20(19-5-3-4-6-21(19)25-22)23(27)26-24-14-18-12-9-16(2)28-18/h3-14H,1-2H3,(H,26,27)/b24-14-
InChIKeyFXVSOPKMRBVKFZ-OYKKKHCWSA-N
XLogP5.34
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.34
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'}

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Related Compounds

2-(2-hydroxyphenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 135647424
2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
CID 7933727
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126037298
N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
CID 6882954
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
2-(4-chlorophenyl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6006642
2-(4-methylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933711

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide (CID 7933730) is 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C\c3ccc(C)s3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is FXVSOPKMRBVKFZ-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-15-7-10-17(11-8-15)22-13-20(19-5-3-4-6-21(19)25-22)23(27)26-24-14-18-12-9-16(2)28-18/h3-14H,1-2H3,(H,26,27)/b24-14-.
What are the key properties of 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 7933730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).