2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide

C22H17N3OS — CID 7933727

IUPAC2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3ccsc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H17N3OS/c1-15-6-8-17(9-7-15)21-12-19(18-4-2-3-5-20(18)24-21)22(26)25-23-13-16-10-11-27-14-16/h2-14H,1H3,(H,25,26)/b23-13-
InChIKeyYNVVTCIHYIPGMW-QRVIBDJDSA-N
MW371.47 g/mol
LogP5.04
Rot. Bonds4

About 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide

2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 7933727) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID7933727
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3ccsc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H17N3OS/c1-15-6-8-17(9-7-15)21-12-19(18-4-2-3-5-20(18)24-21)22(26)25-23-13-16-10-11-27-14-16/h2-14H,1H3,(H,25,26)/b23-13-
InChIKeyYNVVTCIHYIPGMW-QRVIBDJDSA-N
XLogP5.04
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.04
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-methylphenyl)-N-[(Z)-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-tert-butylphenyl)-N-[(E)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
CID 6874988
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933730
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
2-(4-chlorophenyl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6006642
2-(4-fluorophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 42991492
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide (CID 7933727) is 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C\c3ccsc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is YNVVTCIHYIPGMW-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H17N3OS/c1-15-6-8-17(9-7-15)21-12-19(18-4-2-3-5-20(18)24-21)22(26)25-23-13-16-10-11-27-14-16/h2-14H,1H3,(H,25,26)/b23-13-.
What are the key properties of 2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 5.04, 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)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 7933727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).