2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

C21H22BrN3O2S — CID 22422673

IUPAC2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C21H22BrN3O2S/c22-20-7-6-19(28-20)18-14-16(15-4-1-2-5-17(15)24-18)21(26)23-8-3-9-25-10-12-27-13-11-25/h1-2,4-7,14H,3,8-13H2,(H,23,26)
InChIKeyZRVKJPDUQVZCFT-UHFFFAOYSA-N
MW460.40 g/mol
LogP4.18
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 22422673) has the molecular formula C21H22BrN3O2S and a molecular weight of 460.40 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID22422673
Molecular FormulaC21H22BrN3O2S
Molecular Weight460.40 g/mol
Exact Mass459.06
IUPAC Name2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C21H22BrN3O2S/c22-20-7-6-19(28-20)18-14-16(15-4-1-2-5-17(15)24-18)21(26)23-8-3-9-25-10-12-27-13-11-25/h1-2,4-7,14H,3,8-13H2,(H,23,26)
InChIKeyZRVKJPDUQVZCFT-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 15993577
2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
CID 15991683
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
CID 15996066

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 22422673) is 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccc(Br)s2)nc2ccccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is ZRVKJPDUQVZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O2S/c22-20-7-6-19(28-20)18-14-16(15-4-1-2-5-17(15)24-18)21(26)23-8-3-9-25-10-12-27-13-11-25/h1-2,4-7,14H,3,8-13H2,(H,23,26).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 460.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 22422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).