3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one

C15H19N3O2 — CID 11846158

IUPAC3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C15H19N3O2/c19-14-6-3-8-16-13(14)7-9-18-10-17-12-5-2-1-4-11(12)15(18)20/h1-2,4-5,10,13-14,16,19H,3,6-9H2/t13-,14+/m1/s1
InChIKeyPGTWLNXGCUNLSF-KGLIPLIRSA-N
MW273.34 g/mol
LogP0.90
Rot. Bonds3

About 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one

3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one (PubChem CID 11846158) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one
PubChem CID11846158
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C15H19N3O2/c19-14-6-3-8-16-13(14)7-9-18-10-17-12-5-2-1-4-11(12)15(18)20/h1-2,4-5,10,13-14,16,19H,3,6-9H2/t13-,14+/m1/s1
InChIKeyPGTWLNXGCUNLSF-KGLIPLIRSA-N
XLogP0.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one (CID 11846158) is 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one is O=c1c2ccccc2ncn1CC[C@H]1NCCC[C@@H]1O.
What is the InChIKey of 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one?
The InChIKey is PGTWLNXGCUNLSF-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-6-3-8-16-13(14)7-9-18-10-17-12-5-2-1-4-11(12)15(18)20/h1-2,4-5,10,13-14,16,19H,3,6-9H2/t13-,14+/m1/s1.
What are the key properties of 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one?
3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 11846158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).