(3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one

C15H17FN4O2 — CID 100651723

IUPAC(3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1[C@H](Nc2ncnc3c(F)cccc23)CCCN1CCO
InChIInChI=1S/C15H17FN4O2/c16-11-4-1-3-10-13(11)17-9-18-14(10)19-12-5-2-6-20(7-8-21)15(12)22/h1,3-4,9,12,21H,2,5-8H2,(H,17,18,19)/t12-/m1/s1
InChIKeyFAXDJXDVQSZFCO-GFCCVEGCSA-N
MW304.32 g/mol
LogP1.16
Rot. Bonds4

About (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one

(3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one (PubChem CID 100651723) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
PubChem CID100651723
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name(3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1[C@H](Nc2ncnc3c(F)cccc23)CCCN1CCO
InChIInChI=1S/C15H17FN4O2/c16-11-4-1-3-10-13(11)17-9-18-14(10)19-12-5-2-6-20(7-8-21)15(12)22/h1,3-4,9,12,21H,2,5-8H2,(H,17,18,19)/t12-/m1/s1
InChIKeyFAXDJXDVQSZFCO-GFCCVEGCSA-N
XLogP1.16
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The IUPAC name of (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one (CID 100651723) is (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one is O=C1[C@H](Nc2ncnc3c(F)cccc23)CCCN1CCO.
What is the InChIKey of (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The InChIKey is FAXDJXDVQSZFCO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-11-4-1-3-10-13(11)17-9-18-14(10)19-12-5-2-6-20(7-8-21)15(12)22/h1,3-4,9,12,21H,2,5-8H2,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
(3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one has a molecular weight of 304.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 100651723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).