2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide

C21H24BrN3OS — CID 15996066

IUPAC2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
SMILESCCCCN(C)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C21H24BrN3OS/c1-3-4-12-25(2)13-11-23-21(26)16-14-18(19-9-10-20(22)27-19)24-17-8-6-5-7-15(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26)
InChIKeyCXGSFPPGEVHLGN-UHFFFAOYSA-N
MW446.41 g/mol
LogP5.19
Rot. Bonds8

About 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide

2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide (PubChem CID 15996066) has the molecular formula C21H24BrN3OS and a molecular weight of 446.41 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
PubChem CID15996066
Molecular FormulaC21H24BrN3OS
Molecular Weight446.41 g/mol
Exact Mass445.08
IUPAC Name2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
SMILESCCCCN(C)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C21H24BrN3OS/c1-3-4-12-25(2)13-11-23-21(26)16-14-18(19-9-10-20(22)27-19)24-17-8-6-5-7-15(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26)
InChIKeyCXGSFPPGEVHLGN-UHFFFAOYSA-N
XLogP5.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
CID 15991683
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4292431
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 15993577
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide (CID 15996066) is 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide is CCCCN(C)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide?
The InChIKey is CXGSFPPGEVHLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3OS/c1-3-4-12-25(2)13-11-23-21(26)16-14-18(19-9-10-20(22)27-19)24-17-8-6-5-7-15(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide?
2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide has a molecular weight of 446.41 g/mol, XLogP of 5.19, 8 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-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 15996066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).