3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

C18H21FN2O2 — CID 128994275

IUPAC3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESOC1CCOCC1C1CCCN1c1ccnc2c(F)cccc12
InChIInChI=1S/C18H21FN2O2/c19-14-4-1-3-12-16(6-8-20-18(12)14)21-9-2-5-15(21)13-11-23-10-7-17(13)22/h1,3-4,6,8,13,15,17,22H,2,5,7,9-11H2
InChIKeyPADUEDWEBFVURG-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.74
Rot. Bonds2

About 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 128994275) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID128994275
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESOC1CCOCC1C1CCCN1c1ccnc2c(F)cccc12
InChIInChI=1S/C18H21FN2O2/c19-14-4-1-3-12-16(6-8-20-18(12)14)21-9-2-5-15(21)13-11-23-10-7-17(13)22/h1,3-4,6,8,13,15,17,22H,2,5,7,9-11H2
InChIKeyPADUEDWEBFVURG-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-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (CID 128994275) is 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is OC1CCOCC1C1CCCN1c1ccnc2c(F)cccc12.
What is the InChIKey of 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is PADUEDWEBFVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-14-4-1-3-12-16(6-8-20-18(12)14)21-9-2-5-15(21)13-11-23-10-7-17(13)22/h1,3-4,6,8,13,15,17,22H,2,5,7,9-11H2.
What are the key properties of 3-[1-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
3-[1-(8-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-(8-fluoroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 128994275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).