[1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol

C13H14FN3O — CID 71996552

IUPAC[1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncnc2ccc(F)cc12
InChIInChI=1S/C13H14FN3O/c14-9-3-4-12-11(6-9)13(16-8-15-12)17-5-1-2-10(17)7-18/h3-4,6,8,10,18H,1-2,5,7H2
InChIKeyCVHUEGNZLYTGIG-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.73
Rot. Bonds2

About [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol

[1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 71996552) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID71996552
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncnc2ccc(F)cc12
InChIInChI=1S/C13H14FN3O/c14-9-3-4-12-11(6-9)13(16-8-15-12)17-5-1-2-10(17)7-18/h3-4,6,8,10,18H,1-2,5,7H2
InChIKeyCVHUEGNZLYTGIG-UHFFFAOYSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol (CID 71996552) is [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1ncnc2ccc(F)cc12.
What is the InChIKey of [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is CVHUEGNZLYTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-9-3-4-12-11(6-9)13(16-8-15-12)17-5-1-2-10(17)7-18/h3-4,6,8,10,18H,1-2,5,7H2.
What are the key properties of [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol?
[1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 247.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71996552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).