(5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

C24H26ClN3OS — CID 99886306

IUPAC(5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESC[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21
InChIInChI=1S/C24H26ClN3OS/c1-15-14-24(2,3)28(5)20-13-19(25)16(11-18(15)20)12-21-22(29)27(4)23(30-21)26-17-9-7-6-8-10-17/h6-13,15H,14H2,1-5H3/b21-12-,26-23+/t15-/m1/s1
InChIKeyKGHQUUXWCVIQHV-IQVKCXKUSA-N
MW440.01 g/mol
LogP6.30
Rot. Bonds2

About (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 99886306) has the molecular formula C24H26ClN3OS and a molecular weight of 440.01 g/mol. Its IUPAC name is (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID99886306
Molecular FormulaC24H26ClN3OS
Molecular Weight440.01 g/mol
Exact Mass439.15
IUPAC Name(5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESC[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21
InChIInChI=1S/C24H26ClN3OS/c1-15-14-24(2,3)28(5)20-13-19(25)16(11-18(15)20)12-21-22(29)27(4)23(30-21)26-17-9-7-6-8-10-17/h6-13,15H,14H2,1-5H3/b21-12-,26-23+/t15-/m1/s1
InChIKeyKGHQUUXWCVIQHV-IQVKCXKUSA-N
XLogP6.30
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.01
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one 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

(5E)-5-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 50861104
(5E)-5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 50858938
(5Z)-5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 132675409
(5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 125043358
(5Z)-5-[[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 125043842
(5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 50858154
(5E)-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 50863184
(5E)-3-benzyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50858734
(5Z)-3-ethyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 132670049
(5Z)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 132674318
(5E)-3-ethyl-5-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50859588
(5Z)-5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137267511

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one (CID 99886306) is (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one is C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21.
What is the InChIKey of (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is KGHQUUXWCVIQHV-IQVKCXKUSA-N. The full InChI is InChI=1S/C24H26ClN3OS/c1-15-14-24(2,3)28(5)20-13-19(25)16(11-18(15)20)12-21-22(29)27(4)23(30-21)26-17-9-7-6-8-10-17/h6-13,15H,14H2,1-5H3/b21-12-,26-23+/t15-/m1/s1.
What are the key properties of (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 440.01 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 99886306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).