[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite

C19H23FN2O2 — CID 145013104

IUPAC[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite
SMILESCCC1CCN(c2ccc3cc(OF)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C19H23FN2O2/c1-3-13-8-9-21(11-13)16-7-4-14-10-17(24-20)19(23)22(15-5-6-15)18(14)12(16)2/h4,7,10,13,15H,3,5-6,8-9,11H2,1-2H3
InChIKeyUJHVWUSZKJLANB-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.14
Rot. Bonds4

About [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite

[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite (PubChem CID 145013104) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite.

Molecular Properties

Compound Name[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite
PubChem CID145013104
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite
SMILESCCC1CCN(c2ccc3cc(OF)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C19H23FN2O2/c1-3-13-8-9-21(11-13)16-7-4-14-10-17(24-20)19(23)22(15-5-6-15)18(14)12(16)2/h4,7,10,13,15H,3,5-6,8-9,11H2,1-2H3
InChIKeyUJHVWUSZKJLANB-UHFFFAOYSA-N
XLogP4.14
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite?
The IUPAC name of [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite (CID 145013104) is [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite.
What is the SMILES notation for [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite?
The canonical SMILES for [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite is CCC1CCN(c2ccc3cc(OF)c(=O)n(C4CC4)c3c2C)C1.
What is the InChIKey of [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite?
The InChIKey is UJHVWUSZKJLANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-3-13-8-9-21(11-13)16-7-4-14-10-17(24-20)19(23)22(15-5-6-15)18(14)12(16)2/h4,7,10,13,15H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite?
[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite has a molecular weight of 330.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite is sourced from PubChem (CID 145013104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).