7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C16H12N4O2 — CID 134508225

IUPAC7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1cccnc1
InChIInChI=1S/C16H12N4O2/c21-9-10-3-4-12-14(6-10)18-8-13-15(12)19-20(16(13)22)11-2-1-5-17-7-11/h1-8,19,21H,9H2
InChIKeySCJQHEFQUQAKGM-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.75
Rot. Bonds2

About 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one

7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508225) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508225
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1cccnc1
InChIInChI=1S/C16H12N4O2/c21-9-10-3-4-12-14(6-10)18-8-13-15(12)19-20(16(13)22)11-2-1-5-17-7-11/h1-8,19,21H,9H2
InChIKeySCJQHEFQUQAKGM-UHFFFAOYSA-N
XLogP1.75
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.75
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-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508225) is 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1cccnc1.
What is the InChIKey of 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is SCJQHEFQUQAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-9-10-3-4-12-14(6-10)18-8-13-15(12)19-20(16(13)22)11-2-1-5-17-7-11/h1-8,19,21H,9H2.
What are the key properties of 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 292.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).