8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C20H17FN4O2 — CID 25124957

IUPAC8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C20H17FN4O2/c21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13/h1-5,10-12,23H,6-9H2
InChIKeyBULRAIJQCUAWML-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.84
Rot. Bonds2

About 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 25124957) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID25124957
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C20H17FN4O2/c21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13/h1-5,10-12,23H,6-9H2
InChIKeyBULRAIJQCUAWML-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 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 25124957) is 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is BULRAIJQCUAWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13/h1-5,10-12,23H,6-9H2.
What are the key properties of 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-7-morpholin-4-yl-2-phenyl-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 8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 25124957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).