3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one

C23H24FN5O3 — CID 135599889

IUPAC3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(F)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C23H24FN5O3/c1-14-2-3-15(24)12-19(14)29-22(25)20-21(27-29)17-5-4-16(13-18(17)26-23(20)30)32-11-8-28-6-9-31-10-7-28/h2-5,12-13H,6-11,25H2,1H3,(H,26,30)
InChIKeyZKBQCFKCVMLJHV-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599889) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599889
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(F)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C23H24FN5O3/c1-14-2-3-15(24)12-19(14)29-22(25)20-21(27-29)17-5-4-16(13-18(17)26-23(20)30)32-11-8-28-6-9-31-10-7-28/h2-5,12-13H,6-11,25H2,1H3,(H,26,30)
InChIKeyZKBQCFKCVMLJHV-UHFFFAOYSA-N
XLogP2.61
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599889) is 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1ccc(F)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCN3CCOCC3)ccc12.
What is the InChIKey of 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ZKBQCFKCVMLJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14-2-3-15(24)12-19(14)29-22(25)20-21(27-29)17-5-4-16(13-18(17)26-23(20)30)32-11-8-28-6-9-31-10-7-28/h2-5,12-13H,6-11,25H2,1H3,(H,26,30).
What are the key properties of 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 437.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).