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

C20H17ClN4OS — CID 2931050

IUPAC2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C20H17ClN4OS/c21-19-7-6-18(27-19)17-12-15(14-4-1-2-5-16(14)24-17)20(26)23-8-3-10-25-11-9-22-13-25/h1-2,4-7,9,11-13H,3,8,10H2,(H,23,26)
InChIKeyFFFMJPOQTZYKPS-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.63
Rot. Bonds6

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

2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 2931050) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
PubChem CID2931050
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C20H17ClN4OS/c21-19-7-6-18(27-19)17-12-15(14-4-1-2-5-16(14)24-17)20(26)23-8-3-10-25-11-9-22-13-25/h1-2,4-7,9,11-13H,3,8,10H2,(H,23,26)
InChIKeyFFFMJPOQTZYKPS-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.63
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 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (CID 2931050) is 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is FFFMJPOQTZYKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c21-19-7-6-18(27-19)17-12-15(14-4-1-2-5-16(14)24-17)20(26)23-8-3-10-25-11-9-22-13-25/h1-2,4-7,9,11-13H,3,8,10H2,(H,23,26).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 2931050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).