7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C17H14N4O2 — CID 134508204

IUPAC7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1
InChIInChI=1S/C17H14N4O2/c1-10-2-4-12(7-18-10)21-17(23)14-8-19-15-6-11(9-22)3-5-13(15)16(14)20-21/h2-8,20,22H,9H2,1H3
InChIKeyGWPAYUVKEKREEY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.06
Rot. Bonds2

About 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508204) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508204
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1
InChIInChI=1S/C17H14N4O2/c1-10-2-4-12(7-18-10)21-17(23)14-8-19-15-6-11(9-22)3-5-13(15)16(14)20-21/h2-8,20,22H,9H2,1H3
InChIKeyGWPAYUVKEKREEY-UHFFFAOYSA-N
XLogP2.06
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508204) is 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.
What is the InChIKey of 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is GWPAYUVKEKREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-2-4-12(7-18-10)21-17(23)14-8-19-15-6-11(9-22)3-5-13(15)16(14)20-21/h2-8,20,22H,9H2,1H3.
What are the key properties of 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 306.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).