7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide

C18H11BrN2O2 — CID 38938978

IUPAC7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H11BrN2O2/c19-14-6-3-5-12-9-16(23-17(12)14)18(22)21-13-8-11-4-1-2-7-15(11)20-10-13/h1-10H,(H,21,22)
InChIKeyDBXHCZBAELCIBF-UHFFFAOYSA-N
MW367.20 g/mol
LogP5.00
Rot. Bonds2

About 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide

7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 38938978) has the molecular formula C18H11BrN2O2 and a molecular weight of 367.20 g/mol. Its IUPAC name is 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
PubChem CID38938978
Molecular FormulaC18H11BrN2O2
Molecular Weight367.20 g/mol
Exact Mass366.00
IUPAC Name7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H11BrN2O2/c19-14-6-3-5-12-9-16(23-17(12)14)18(22)21-13-8-11-4-1-2-7-15(11)20-10-13/h1-10H,(H,21,22)
InChIKeyDBXHCZBAELCIBF-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 46453605
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 46468257
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
2,4,5-trimethyl-N-quinolin-3-ylfuran-3-carboxamide
CID 32840046
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289802
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide (CID 38938978) is 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide is O=C(Nc1cnc2ccccc2c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is DBXHCZBAELCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O2/c19-14-6-3-5-12-9-16(23-17(12)14)18(22)21-13-8-11-4-1-2-7-15(11)20-10-13/h1-10H,(H,21,22).
What are the key properties of 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide?
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38938978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).