3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C16H10F2N4O — CID 135599933

IUPAC3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(F)ccc1F
InChIInChI=1S/C16H10F2N4O/c17-8-5-6-10(18)12(7-8)22-15(19)13-14(21-22)9-3-1-2-4-11(9)20-16(13)23/h1-7H,19H2,(H,20,23)
InChIKeyOLXFXBTUKWWVDA-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.73
Rot. Bonds1

About 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599933) has the molecular formula C16H10F2N4O and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599933
Molecular FormulaC16H10F2N4O
Molecular Weight312.28 g/mol
Exact Mass312.08
IUPAC Name3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(F)ccc1F
InChIInChI=1S/C16H10F2N4O/c17-8-5-6-10(18)12(7-8)22-15(19)13-14(21-22)9-3-1-2-4-11(9)20-16(13)23/h1-7H,19H2,(H,20,23)
InChIKeyOLXFXBTUKWWVDA-UHFFFAOYSA-N
XLogP2.73
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599933) is 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(F)ccc1F.
What is the InChIKey of 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is OLXFXBTUKWWVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O/c17-8-5-6-10(18)12(7-8)22-15(19)13-14(21-22)9-3-1-2-4-11(9)20-16(13)23/h1-7H,19H2,(H,20,23).
What are the key properties of 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 312.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).