N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide

C23H20N2OS — CID 3296086

IUPACN-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H20N2OS/c26-23(24-14-6-10-17-8-2-1-3-9-17)19-16-21(22-13-7-15-27-22)25-20-12-5-4-11-18(19)20/h1-5,7-9,11-13,15-16H,6,10,14H2,(H,24,26)
InChIKeyPYPBKULTAGOQIA-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.33
Rot. Bonds6

About N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3296086) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3296086
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H20N2OS/c26-23(24-14-6-10-17-8-2-1-3-9-17)19-16-21(22-13-7-15-27-22)25-20-12-5-4-11-18(19)20/h1-5,7-9,11-13,15-16H,6,10,14H2,(H,24,26)
InChIKeyPYPBKULTAGOQIA-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3439014
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
[2-(3-methoxypropylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 8661698
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 3296086) is N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCCCc1ccccc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is PYPBKULTAGOQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c26-23(24-14-6-10-17-8-2-1-3-9-17)19-16-21(22-13-7-15-27-22)25-20-12-5-4-11-18(19)20/h1-5,7-9,11-13,15-16H,6,10,14H2,(H,24,26).
What are the key properties of N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3296086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).