3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

C18H21FN2O2 — CID 128994292

IUPAC3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESOC1CCOCC1C1CCCN1c1ccnc2cc(F)ccc12
InChIInChI=1S/C18H21FN2O2/c19-12-3-4-13-15(10-12)20-7-5-17(13)21-8-1-2-16(21)14-11-23-9-6-18(14)22/h3-5,7,10,14,16,18,22H,1-2,6,8-9,11H2
InChIKeyFGYYRDZCUNXXJS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.74
Rot. Bonds2

About 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 128994292) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID128994292
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESOC1CCOCC1C1CCCN1c1ccnc2cc(F)ccc12
InChIInChI=1S/C18H21FN2O2/c19-12-3-4-13-15(10-12)20-7-5-17(13)21-8-1-2-16(21)14-11-23-9-6-18(14)22/h3-5,7,10,14,16,18,22H,1-2,6,8-9,11H2
InChIKeyFGYYRDZCUNXXJS-UHFFFAOYSA-N
XLogP2.74
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (CID 128994292) is 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is OC1CCOCC1C1CCCN1c1ccnc2cc(F)ccc12.
What is the InChIKey of 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is FGYYRDZCUNXXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-12-3-4-13-15(10-12)20-7-5-17(13)21-8-1-2-16(21)14-11-23-9-6-18(14)22/h3-5,7,10,14,16,18,22H,1-2,6,8-9,11H2.
What are the key properties of 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 316.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 128994292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).