1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine

C18H14ClN5S — CID 118716249

IUPAC1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
SMILESCc1ccc2nc(Cl)c(/C=N/n3cc(-c4cccs4)nc3N)cc2c1
InChIInChI=1S/C18H14ClN5S/c1-11-4-5-14-12(7-11)8-13(17(19)22-14)9-21-24-10-15(23-18(24)20)16-3-2-6-25-16/h2-10H,1H3,(H2,20,23)/b21-9+
InChIKeyIFPSZUREOOUZHV-ZVBGSRNCSA-N
MW367.87 g/mol
LogP4.59
Rot. Bonds3

About 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine

1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine (PubChem CID 118716249) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
PubChem CID118716249
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
SMILESCc1ccc2nc(Cl)c(/C=N/n3cc(-c4cccs4)nc3N)cc2c1
InChIInChI=1S/C18H14ClN5S/c1-11-4-5-14-12(7-11)8-13(17(19)22-14)9-21-24-10-15(23-18(24)20)16-3-2-6-25-16/h2-10H,1H3,(H2,20,23)/b21-9+
InChIKeyIFPSZUREOOUZHV-ZVBGSRNCSA-N
XLogP4.59
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
The IUPAC name of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine (CID 118716249) is 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine is Cc1ccc2nc(Cl)c(/C=N/n3cc(-c4cccs4)nc3N)cc2c1.
What is the InChIKey of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
The InChIKey is IFPSZUREOOUZHV-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H14ClN5S/c1-11-4-5-14-12(7-11)8-13(17(19)22-14)9-21-24-10-15(23-18(24)20)16-3-2-6-25-16/h2-10H,1H3,(H2,20,23)/b21-9+.
What are the key properties of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine has a molecular weight of 367.87 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine is sourced from PubChem (CID 118716249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).