(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C22H31N3O2S — CID 50863810

IUPAC(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESCCCN1c2cc(OC)c(/C=C3/S/C(=N\C)N(C)C3=O)cc2C(C)CC1(C)C
InChIInChI=1S/C22H31N3O2S/c1-8-9-25-17-12-18(27-7)15(10-16(17)14(2)13-22(25,3)4)11-19-20(26)24(6)21(23-5)28-19/h10-12,14H,8-9,13H2,1-7H3/b19-11+,23-21-
InChIKeyJXMVNZBWGHJAHE-ZHUAHHRVSA-N
MW401.58 g/mol
LogP4.73
Rot. Bonds4

About (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 50863810) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID50863810
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESCCCN1c2cc(OC)c(/C=C3/S/C(=N\C)N(C)C3=O)cc2C(C)CC1(C)C
InChIInChI=1S/C22H31N3O2S/c1-8-9-25-17-12-18(27-7)15(10-16(17)14(2)13-22(25,3)4)11-19-20(26)24(6)21(23-5)28-19/h10-12,14H,8-9,13H2,1-7H3/b19-11+,23-21-
InChIKeyJXMVNZBWGHJAHE-ZHUAHHRVSA-N
XLogP4.73
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-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-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 50863779
(5Z)-3-butan-2-yl-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50863823
(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 50864074
(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50864005
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 50862037
(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 50864020
5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50863955
(5E)-3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)imino-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 50862945
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 50867990
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 50861968
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 50862019
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130482

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 50863810) is (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is CCCN1c2cc(OC)c(/C=C3/S/C(=N\C)N(C)C3=O)cc2C(C)CC1(C)C.
What is the InChIKey of (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is JXMVNZBWGHJAHE-ZHUAHHRVSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-8-9-25-17-12-18(27-7)15(10-16(17)14(2)13-22(25,3)4)11-19-20(26)24(6)21(23-5)28-19/h10-12,14H,8-9,13H2,1-7H3/b19-11+,23-21-.
What are the key properties of (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 401.58 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 50863810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).