3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one

C23H27N3O3 — CID 101467130

IUPAC3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C[C@H](O)C[C@H]1NCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H27N3O3/c27-18(14-26-16-25-20-10-5-4-9-19(20)23(26)28)13-21-22(11-6-12-24-21)29-15-17-7-2-1-3-8-17/h1-5,7-10,16,18,21-22,24,27H,6,11-15H2/t18-,21-,22+/m1/s1
InChIKeySQUVKXZYQBWWTK-QIJUGHKUSA-N
MW393.49 g/mol
LogP2.48
Rot. Bonds7

About 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one

3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one (PubChem CID 101467130) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one
PubChem CID101467130
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C[C@H](O)C[C@H]1NCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H27N3O3/c27-18(14-26-16-25-20-10-5-4-9-19(20)23(26)28)13-21-22(11-6-12-24-21)29-15-17-7-2-1-3-8-17/h1-5,7-10,16,18,21-22,24,27H,6,11-15H2/t18-,21-,22+/m1/s1
InChIKeySQUVKXZYQBWWTK-QIJUGHKUSA-N
XLogP2.48
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one with MolForge

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Related Compounds

3-[(2S)-3-[(2R,3S)-1-tert-butylsulfonyl-3-phenylmethoxypiperidin-2-yl]-2-hydroxypropyl]quinazolin-4-one
CID 135014727
7-bromo-6-chloro-3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one;3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one
CID 158153150
[(2R,3S)-3-hydroxy-2-[(2R)-2-hydroxy-3-(4-oxoquinazolin-3-yl)propyl]piperidin-1-yl]thallium
CID 163767364
3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 11208839
6-chloro-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-7-methylquinazolin-4-one;hydrochloride
CID 159583169
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
7-bromo-6-chloro-3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one
CID 54772245
6-bromo-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylquinazolin-4-one;hydrochloride
CID 161081269
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one
CID 51283425
3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one
CID 69064891
3-pyrrolidin-2-ylquinazolin-4-one
CID 117263616
6-(3,4-difluorophenyl)-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]pyrido[3,2-d]pyrimidin-4-one
CID 142602109

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one (CID 101467130) is 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one is O=c1c2ccccc2ncn1C[C@H](O)C[C@H]1NCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one?
The InChIKey is SQUVKXZYQBWWTK-QIJUGHKUSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-18(14-26-16-25-20-10-5-4-9-19(20)23(26)28)13-21-22(11-6-12-24-21)29-15-17-7-2-1-3-8-17/h1-5,7-10,16,18,21-22,24,27H,6,11-15H2/t18-,21-,22+/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one?
3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 101467130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).