4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol

C18H13N3O2 — CID 2323328

IUPAC4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2[nH]ncc2-c2cccc3cccnc23)c(O)c1
InChIInChI=1S/C18H13N3O2/c22-12-6-7-14(16(23)9-12)18-15(10-20-21-18)13-5-1-3-11-4-2-8-19-17(11)13/h1-10,22-23H,(H,20,21)
InChIKeyRNARQCIJGRDWAK-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.70
Rot. Bonds2

About 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol

4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol (PubChem CID 2323328) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol
PubChem CID2323328
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2[nH]ncc2-c2cccc3cccnc23)c(O)c1
InChIInChI=1S/C18H13N3O2/c22-12-6-7-14(16(23)9-12)18-15(10-20-21-18)13-5-1-3-11-4-2-8-19-17(11)13/h1-10,22-23H,(H,20,21)
InChIKeyRNARQCIJGRDWAK-UHFFFAOYSA-N
XLogP3.70
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol?
The IUPAC name of 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol (CID 2323328) is 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol is Oc1ccc(-c2[nH]ncc2-c2cccc3cccnc23)c(O)c1.
What is the InChIKey of 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol?
The InChIKey is RNARQCIJGRDWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-12-6-7-14(16(23)9-12)18-15(10-20-21-18)13-5-1-3-11-4-2-8-19-17(11)13/h1-10,22-23H,(H,20,21).
What are the key properties of 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol?
4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol has a molecular weight of 303.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-quinolin-8-yl-1H-pyrazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 2323328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).