N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C21H20N4OS — CID 2932156

IUPACN-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)s1
InChIInChI=1S/C21H20N4OS/c1-15-7-8-20(27-15)19-13-17(16-5-2-3-6-18(16)24-19)21(26)23-9-4-11-25-12-10-22-14-25/h2-3,5-8,10,12-14H,4,9,11H2,1H3,(H,23,26)
InChIKeyWZVCRXGHDJISCV-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.29
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 2932156) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID2932156
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)s1
InChIInChI=1S/C21H20N4OS/c1-15-7-8-20(27-15)19-13-17(16-5-2-3-6-18(16)24-19)21(26)23-9-4-11-25-12-10-22-14-25/h2-3,5-8,10,12-14H,4,9,11H2,1H3,(H,23,26)
InChIKeyWZVCRXGHDJISCV-UHFFFAOYSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 2932156) is N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)s1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is WZVCRXGHDJISCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-15-7-8-20(27-15)19-13-17(16-5-2-3-6-18(16)24-19)21(26)23-9-4-11-25-12-10-22-14-25/h2-3,5-8,10,12-14H,4,9,11H2,1H3,(H,23,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2932156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).