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

C17H14N4O3 — CID 134508199

IUPAC7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1
InChIInChI=1S/C17H14N4O3/c1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21/h2-8,20,22H,9H2,1H3
InChIKeyVLBMTDYMLXXROL-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.76
Rot. Bonds3

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

7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508199) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508199
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1
InChIInChI=1S/C17H14N4O3/c1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21/h2-8,20,22H,9H2,1H3
InChIKeyVLBMTDYMLXXROL-UHFFFAOYSA-N
XLogP1.76
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508199) is 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.
What is the InChIKey of 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is VLBMTDYMLXXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21/h2-8,20,22H,9H2,1H3.
What are the key properties of 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 322.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).