2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C20H17FN4O2 — CID 25124612

IUPAC2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1F
InChIInChI=1S/C20H17FN4O2/c21-16-3-1-2-4-18(16)25-20(26)15-12-22-17-6-5-13(11-14(17)19(15)23-25)24-7-9-27-10-8-24/h1-6,11-12,23H,7-10H2
InChIKeyZQKNJJZGNRAAGW-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one

2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 25124612) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID25124612
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1F
InChIInChI=1S/C20H17FN4O2/c21-16-3-1-2-4-18(16)25-20(26)15-12-22-17-6-5-13(11-14(17)19(15)23-25)24-7-9-27-10-8-24/h1-6,11-12,23H,7-10H2
InChIKeyZQKNJJZGNRAAGW-UHFFFAOYSA-N
XLogP2.84
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
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 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 25124612) is 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is ZQKNJJZGNRAAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-16-3-1-2-4-18(16)25-20(26)15-12-22-17-6-5-13(11-14(17)19(15)23-25)24-7-9-27-10-8-24/h1-6,11-12,23H,7-10H2.
What are the key properties of 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 364.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 25124612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).