3-bromo-N-quinolin-6-ylthiophene-2-carboxamide

C14H9BrN2OS — CID 60783620

IUPAC3-bromo-N-quinolin-6-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1sccc1Br
InChIInChI=1S/C14H9BrN2OS/c15-11-5-7-19-13(11)14(18)17-10-3-4-12-9(8-10)2-1-6-16-12/h1-8H,(H,17,18)
InChIKeyYJVKDUUTWWIJPN-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.31
Rot. Bonds2

About 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide

3-bromo-N-quinolin-6-ylthiophene-2-carboxamide (PubChem CID 60783620) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-quinolin-6-ylthiophene-2-carboxamide
PubChem CID60783620
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC Name3-bromo-N-quinolin-6-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1sccc1Br
InChIInChI=1S/C14H9BrN2OS/c15-11-5-7-19-13(11)14(18)17-10-3-4-12-9(8-10)2-1-6-16-12/h1-8H,(H,17,18)
InChIKeyYJVKDUUTWWIJPN-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-quinolin-6-ylbenzamide
CID 833617
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458
2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide (CID 60783620) is 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide is O=C(Nc1ccc2ncccc2c1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide?
The InChIKey is YJVKDUUTWWIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-11-5-7-19-13(11)14(18)17-10-3-4-12-9(8-10)2-1-6-16-12/h1-8H,(H,17,18).
What are the key properties of 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide?
3-bromo-N-quinolin-6-ylthiophene-2-carboxamide has a molecular weight of 333.21 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-quinolin-6-ylthiophene-2-carboxamide is sourced from PubChem (CID 60783620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).