1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one

C17H13N3O2 — CID 135511875

IUPAC1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2cccc(O)c2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H13N3O2/c1-10-15-16(22)13-7-2-3-8-14(13)18-17(15)20(19-10)11-5-4-6-12(21)9-11/h2-9,21H,1H3,(H,18,22)
InChIKeyVEGLUZRENCEMLC-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.88
Rot. Bonds1

About 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one

1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135511875) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135511875
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2cccc(O)c2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H13N3O2/c1-10-15-16(22)13-7-2-3-8-14(13)18-17(15)20(19-10)11-5-4-6-12(21)9-11/h2-9,21H,1H3,(H,18,22)
InChIKeyVEGLUZRENCEMLC-UHFFFAOYSA-N
XLogP2.88
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one (CID 135511875) is 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one is Cc1nn(-c2cccc(O)c2)c2[nH]c3ccccc3c(=O)c12.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is VEGLUZRENCEMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-15-16(22)13-7-2-3-8-14(13)18-17(15)20(19-10)11-5-4-6-12(21)9-11/h2-9,21H,1H3,(H,18,22).
What are the key properties of 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 291.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135511875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).