8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C21H20FN5O — CID 25125978

IUPAC8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCN1CCN(c2cc(F)cc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1
InChIInChI=1S/C21H20FN5O/c1-25-7-9-26(10-8-25)18-12-14(22)11-16-19-17(13-23-20(16)18)21(28)27(24-19)15-5-3-2-4-6-15/h2-6,11-13,24H,7-10H2,1H3
InChIKeyNDFMWZSBMWLTCK-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.76
Rot. Bonds2

About 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 25125978) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID25125978
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCN1CCN(c2cc(F)cc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1
InChIInChI=1S/C21H20FN5O/c1-25-7-9-26(10-8-25)18-12-14(22)11-16-19-17(13-23-20(16)18)21(28)27(24-19)15-5-3-2-4-6-15/h2-6,11-13,24H,7-10H2,1H3
InChIKeyNDFMWZSBMWLTCK-UHFFFAOYSA-N
XLogP2.76
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.76
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-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 25125978) is 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CN1CCN(c2cc(F)cc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.
What is the InChIKey of 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is NDFMWZSBMWLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-25-7-9-26(10-8-25)18-12-14(22)11-16-19-17(13-23-20(16)18)21(28)27(24-19)15-5-3-2-4-6-15/h2-6,11-13,24H,7-10H2,1H3.
What are the key properties of 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 377.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 25125978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).