1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone

C22H23N3O4 — CID 51500861

IUPAC1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESCOc1ccccc1[C@@]1(O)CCCN(C(=O)COc2ncnc3ccccc23)C1
InChIInChI=1S/C22H23N3O4/c1-28-19-10-5-3-8-17(19)22(27)11-6-12-25(14-22)20(26)13-29-21-16-7-2-4-9-18(16)23-15-24-21/h2-5,7-10,15,27H,6,11-14H2,1H3/t22-/m1/s1
InChIKeyQAEZLPVQHNCVHN-JOCHJYFZSA-N
MW393.44 g/mol
LogP2.53
Rot. Bonds5

About 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 51500861) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
PubChem CID51500861
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESCOc1ccccc1[C@@]1(O)CCCN(C(=O)COc2ncnc3ccccc23)C1
InChIInChI=1S/C22H23N3O4/c1-28-19-10-5-3-8-17(19)22(27)11-6-12-25(14-22)20(26)13-29-21-16-7-2-4-9-18(16)23-15-24-21/h2-5,7-10,15,27H,6,11-14H2,1H3/t22-/m1/s1
InChIKeyQAEZLPVQHNCVHN-JOCHJYFZSA-N
XLogP2.53
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone with MolForge

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
CID 139491021
1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 166318304
[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 46964804
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50969210
1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 39834425
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 90649083
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
2-(2-fluorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115875253
3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
CID 90134971
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 70722433
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 86285494

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 51500861) is 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone is COc1ccccc1[C@@]1(O)CCCN(C(=O)COc2ncnc3ccccc23)C1.
What is the InChIKey of 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is QAEZLPVQHNCVHN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-19-10-5-3-8-17(19)22(27)11-6-12-25(14-22)20(26)13-29-21-16-7-2-4-9-18(16)23-15-24-21/h2-5,7-10,15,27H,6,11-14H2,1H3/t22-/m1/s1.
What are the key properties of 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 393.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 51500861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).