5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol

C23H15BrN2O2 — CID 25023833

IUPAC5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol
SMILESOc1cc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)ccc1Br
InChIInChI=1S/C23H15BrN2O2/c24-18-8-6-16(13-21(18)27)26-19-9-10-25-20-11-15(5-7-17(19)20)23-12-14-3-1-2-4-22(14)28-23/h1-13,27H,(H,25,26)
InChIKeySAPRCZLNSVETMH-UHFFFAOYSA-N
MW431.29 g/mol
LogP6.86
Rot. Bonds3

About 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol

5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol (PubChem CID 25023833) has the molecular formula C23H15BrN2O2 and a molecular weight of 431.29 g/mol. Its IUPAC name is 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol.

Molecular Properties

Compound Name5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol
PubChem CID25023833
Molecular FormulaC23H15BrN2O2
Molecular Weight431.29 g/mol
Exact Mass430.03
IUPAC Name5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol
SMILESOc1cc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)ccc1Br
InChIInChI=1S/C23H15BrN2O2/c24-18-8-6-16(13-21(18)27)26-19-9-10-25-20-11-15(5-7-17(19)20)23-12-14-3-1-2-4-22(14)28-23/h1-13,27H,(H,25,26)
InChIKeySAPRCZLNSVETMH-UHFFFAOYSA-N
XLogP6.86
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol?
The IUPAC name of 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol (CID 25023833) is 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol.
What is the SMILES notation for 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol?
The canonical SMILES for 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol is Oc1cc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)ccc1Br.
What is the InChIKey of 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol?
The InChIKey is SAPRCZLNSVETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2O2/c24-18-8-6-16(13-21(18)27)26-19-9-10-25-20-11-15(5-7-17(19)20)23-12-14-3-1-2-4-22(14)28-23/h1-13,27H,(H,25,26).
What are the key properties of 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol?
5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol has a molecular weight of 431.29 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]-2-bromophenol is sourced from PubChem (CID 25023833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).