3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride

C23H17ClN2O2 — CID 44532307

IUPAC3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)c1
InChIInChI=1S/C23H16N2O2.ClH/c26-18-6-3-5-17(14-18)25-20-10-11-24-21-12-16(8-9-19(20)21)23-13-15-4-1-2-7-22(15)27-23;/h1-14,26H,(H,24,25);1H
InChIKeyJIDOFGZCHXAEKL-UHFFFAOYSA-N
MW388.85 g/mol
LogP6.52
Rot. Bonds3

About 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride

3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride (PubChem CID 44532307) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride
PubChem CID44532307
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)c1
InChIInChI=1S/C23H16N2O2.ClH/c26-18-6-3-5-17(14-18)25-20-10-11-24-21-12-16(8-9-19(20)21)23-13-15-4-1-2-7-22(15)27-23;/h1-14,26H,(H,24,25);1H
InChIKeyJIDOFGZCHXAEKL-UHFFFAOYSA-N
XLogP6.52
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride?
The IUPAC name of 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride (CID 44532307) is 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride.
What is the SMILES notation for 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride?
The canonical SMILES for 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride is Cl.Oc1cccc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)c1.
What is the InChIKey of 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride?
The InChIKey is JIDOFGZCHXAEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2.ClH/c26-18-6-3-5-17(14-18)25-20-10-11-24-21-12-16(8-9-19(20)21)23-13-15-4-1-2-7-22(15)27-23;/h1-14,26H,(H,24,25);1H.
What are the key properties of 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride?
3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 6.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(1-benzofuran-2-yl)quinolin-4-yl]amino]phenol;hydrochloride is sourced from PubChem (CID 44532307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).