N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide

C23H27N3OS — CID 42749495

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C23H27N3OS/c1-17-7-4-5-12-26(17)13-6-11-24-23(27)20-15-22(18-10-14-28-16-18)25-21-9-3-2-8-19(20)21/h2-3,8-10,14-17H,4-7,11-13H2,1H3,(H,24,27)
InChIKeyIMMIBWNPLCYLTO-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.96
Rot. Bonds6

About N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide

N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide (PubChem CID 42749495) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
PubChem CID42749495
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C23H27N3OS/c1-17-7-4-5-12-26(17)13-6-11-24-23(27)20-15-22(18-10-14-28-16-18)25-21-9-3-2-8-19(20)21/h2-3,8-10,14-17H,4-7,11-13H2,1H3,(H,24,27)
InChIKeyIMMIBWNPLCYLTO-UHFFFAOYSA-N
XLogP4.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 15993577
2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 172895961
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
2-(4-acetamidophenyl)-6-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 46375393
2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 92879171
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
CID 9472621
2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
CID 50806128
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide (CID 42749495) is N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide is CC1CCCCN1CCCNC(=O)c1cc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide?
The InChIKey is IMMIBWNPLCYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-17-7-4-5-12-26(17)13-6-11-24-23(27)20-15-22(18-10-14-28-16-18)25-21-9-3-2-8-19(20)21/h2-3,8-10,14-17H,4-7,11-13H2,1H3,(H,24,27).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide?
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide has a molecular weight of 393.56 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).