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

C19H20BrN3OS — CID 15991683

IUPAC2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C19H20BrN3OS/c1-23(2)11-5-10-21-19(24)14-12-16(17-8-9-18(20)25-17)22-15-7-4-3-6-13(14)15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,24)
InChIKeyIATFYPVNWZFBDM-UHFFFAOYSA-N
MW418.36 g/mol
LogP4.41
Rot. Bonds6

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

2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide (PubChem CID 15991683) has the molecular formula C19H20BrN3OS and a molecular weight of 418.36 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
PubChem CID15991683
Molecular FormulaC19H20BrN3OS
Molecular Weight418.36 g/mol
Exact Mass417.05
IUPAC Name2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C19H20BrN3OS/c1-23(2)11-5-10-21-19(24)14-12-16(17-8-9-18(20)25-17)22-15-7-4-3-6-13(14)15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,24)
InChIKeyIATFYPVNWZFBDM-UHFFFAOYSA-N
XLogP4.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 54.41
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-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
CID 15996066
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
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-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide (CID 15991683) is 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide is CN(C)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide?
The InChIKey is IATFYPVNWZFBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3OS/c1-23(2)11-5-10-21-19(24)14-12-16(17-8-9-18(20)25-17)22-15-7-4-3-6-13(14)15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide?
2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide has a molecular weight of 418.36 g/mol, XLogP of 4.41, 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-(dimethylamino)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 15991683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).