5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C19H20N4OS — CID 3378664

IUPAC5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc2cc(C=C3NC(=S)NC3=O)c(N3CCCCC3)nc2c1
InChIInChI=1S/C19H20N4OS/c1-12-5-6-13-10-14(11-16-18(24)22-19(25)21-16)17(20-15(13)9-12)23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8H2,1H3,(H2,21,22,24,25)
InChIKeyNRDIAAYPCVIYDS-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.88
Rot. Bonds2

About 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 3378664) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID3378664
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc2cc(C=C3NC(=S)NC3=O)c(N3CCCCC3)nc2c1
InChIInChI=1S/C19H20N4OS/c1-12-5-6-13-10-14(11-16-18(24)22-19(25)21-16)17(20-15(13)9-12)23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8H2,1H3,(H2,21,22,24,25)
InChIKeyNRDIAAYPCVIYDS-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-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-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1227121
(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1396739
(5Z)-3-methyl-5-[(6-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 8721842
(5Z)-3-(3-methoxypropyl)-5-[(6-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473480
(5E)-5-[(6-ethoxy-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1389402
7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 857615
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 793193
(5E)-1-acetyl-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1419267
(5Z)-3-benzyl-5-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473457
(5E)-5-[(1,5-dimethylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 17024978
(5Z)-3-[(4-methylphenyl)methyl]-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473514
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 3378664) is 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is Cc1ccc2cc(C=C3NC(=S)NC3=O)c(N3CCCCC3)nc2c1.
What is the InChIKey of 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NRDIAAYPCVIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-5-6-13-10-14(11-16-18(24)22-19(25)21-16)17(20-15(13)9-12)23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8H2,1H3,(H2,21,22,24,25).
What are the key properties of 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3378664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).