2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

C23H26BrN3OS — CID 15993577

IUPAC2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C23H26BrN3OS/c1-16-7-4-5-13-27(16)14-6-12-25-23(28)18-15-20(21-10-11-22(24)29-21)26-19-9-3-2-8-17(18)19/h2-3,8-11,15-16H,4-7,12-14H2,1H3,(H,25,28)
InChIKeyBBSHGNBBZYQYHI-UHFFFAOYSA-N
MW472.45 g/mol
LogP5.72
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 15993577) has the molecular formula C23H26BrN3OS and a molecular weight of 472.45 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID15993577
Molecular FormulaC23H26BrN3OS
Molecular Weight472.45 g/mol
Exact Mass471.10
IUPAC Name2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C23H26BrN3OS/c1-16-7-4-5-13-27(16)14-6-12-25-23(28)18-15-20(21-10-11-22(24)29-21)26-19-9-3-2-8-17(18)19/h2-3,8-11,15-16H,4-7,12-14H2,1H3,(H,25,28)
InChIKeyBBSHGNBBZYQYHI-UHFFFAOYSA-N
XLogP5.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 55.72
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

N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749495
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 172895961
2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
CID 15991683
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
CID 15996066
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
CID 50806128
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide (CID 15993577) is 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide is CC1CCCCN1CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is BBSHGNBBZYQYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3OS/c1-16-7-4-5-13-27(16)14-6-12-25-23(28)18-15-20(21-10-11-22(24)29-21)26-19-9-3-2-8-17(18)19/h2-3,8-11,15-16H,4-7,12-14H2,1H3,(H,25,28).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 472.45 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 15993577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).