2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol

C20H13N3OS — CID 139237657

IUPAC2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol
SMILESOc1ccccc1-c1cc(-c2cc3cc4ccccc4nc3s2)[nH]n1
InChIInChI=1S/C20H13N3OS/c24-18-8-4-2-6-14(18)16-11-17(23-22-16)19-10-13-9-12-5-1-3-7-15(12)21-20(13)25-19/h1-11,24H,(H,22,23)
InChIKeyBKTUHTDDYOFZKX-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.21
Rot. Bonds2

About 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol

2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol (PubChem CID 139237657) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol
PubChem CID139237657
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol
SMILESOc1ccccc1-c1cc(-c2cc3cc4ccccc4nc3s2)[nH]n1
InChIInChI=1S/C20H13N3OS/c24-18-8-4-2-6-14(18)16-11-17(23-22-16)19-10-13-9-12-5-1-3-7-15(12)21-20(13)25-19/h1-11,24H,(H,22,23)
InChIKeyBKTUHTDDYOFZKX-UHFFFAOYSA-N
XLogP5.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol?
The IUPAC name of 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol (CID 139237657) is 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol is Oc1ccccc1-c1cc(-c2cc3cc4ccccc4nc3s2)[nH]n1.
What is the InChIKey of 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol?
The InChIKey is BKTUHTDDYOFZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c24-18-8-4-2-6-14(18)16-11-17(23-22-16)19-10-13-9-12-5-1-3-7-15(12)21-20(13)25-19/h1-11,24H,(H,22,23).
What are the key properties of 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol?
2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol has a molecular weight of 343.41 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 139237657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).