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

C21H15BrN2O2S — CID 15997152

IUPAC2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc23)c1
InChIInChI=1S/C21H15BrN2O2S/c1-26-14-6-4-5-13(11-14)23-21(25)16-12-18(19-9-10-20(22)27-19)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,23,25)
InChIKeyXEQALXLSAPDBOW-UHFFFAOYSA-N
MW439.33 g/mol
LogP5.99
Rot. Bonds4

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

2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 15997152) has the molecular formula C21H15BrN2O2S and a molecular weight of 439.33 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID15997152
Molecular FormulaC21H15BrN2O2S
Molecular Weight439.33 g/mol
Exact Mass438.00
IUPAC Name2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc23)c1
InChIInChI=1S/C21H15BrN2O2S/c1-26-14-6-4-5-13(11-14)23-21(25)16-12-18(19-9-10-20(22)27-19)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,23,25)
InChIKeyXEQALXLSAPDBOW-UHFFFAOYSA-N
XLogP5.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.33
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
ethyl 4-[[2-(5-bromothiophen-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 22427756
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55800284
2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide
CID 4275596
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23766266
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide (CID 15997152) is 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc23)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is XEQALXLSAPDBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O2S/c1-26-14-6-4-5-13(11-14)23-21(25)16-12-18(19-9-10-20(22)27-19)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,23,25).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide?
2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 439.33 g/mol, XLogP of 5.99, 4 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-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 15997152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).