5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one

C22H19FN4O2 — CID 162504665

IUPAC5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one
SMILESCn1ncc2c(=O)n(CCC(=O)N3CCc4ccccc43)c3cc(F)ccc3c21
InChIInChI=1S/C22H19FN4O2/c1-25-21-16-7-6-15(23)12-19(16)27(22(29)17(21)13-24-25)11-9-20(28)26-10-8-14-4-2-3-5-18(14)26/h2-7,12-13H,8-11H2,1H3
InChIKeyNBRORYKHHCRXSA-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.01
Rot. Bonds3

About 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one

5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one (PubChem CID 162504665) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one
PubChem CID162504665
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one
SMILESCn1ncc2c(=O)n(CCC(=O)N3CCc4ccccc43)c3cc(F)ccc3c21
InChIInChI=1S/C22H19FN4O2/c1-25-21-16-7-6-15(23)12-19(16)27(22(29)17(21)13-24-25)11-9-20(28)26-10-8-14-4-2-3-5-18(14)26/h2-7,12-13H,8-11H2,1H3
InChIKeyNBRORYKHHCRXSA-UHFFFAOYSA-N
XLogP3.01
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one (CID 162504665) is 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one is Cn1ncc2c(=O)n(CCC(=O)N3CCc4ccccc43)c3cc(F)ccc3c21.
What is the InChIKey of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one?
The InChIKey is NBRORYKHHCRXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-25-21-16-7-6-15(23)12-19(16)27(22(29)17(21)13-24-25)11-9-20(28)26-10-8-14-4-2-3-5-18(14)26/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one?
5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one has a molecular weight of 390.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 162504665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).