1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone

C20H20N4O2 — CID 99974769

IUPAC1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C20H20N4O2/c25-19(13-26-20-15-7-1-2-8-16(15)22-14-23-20)24-12-6-4-10-18(24)17-9-3-5-11-21-17/h1-3,5,7-9,11,14,18H,4,6,10,12-13H2/t18-/m0/s1
InChIKeyMYTVLTPPXQWDQB-SFHVURJKSA-N
MW348.41 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 99974769) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
PubChem CID99974769
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C20H20N4O2/c25-19(13-26-20-15-7-1-2-8-16(15)22-14-23-20)24-12-6-4-10-18(24)17-9-3-5-11-21-17/h1-3,5,7-9,11,14,18H,4,6,10,12-13H2/t18-/m0/s1
InChIKeyMYTVLTPPXQWDQB-SFHVURJKSA-N
XLogP3.16
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone with MolForge

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Related Compounds

2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91782874
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
2-(2,4-dichlorophenoxy)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 97127081
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 125010492
1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 129454279
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 124949467
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956598
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956601
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 99974769) is 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone is O=C(COc1ncnc2ccccc12)N1CCCC[C@H]1c1ccccn1.
What is the InChIKey of 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is MYTVLTPPXQWDQB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(13-26-20-15-7-1-2-8-16(15)22-14-23-20)24-12-6-4-10-18(24)17-9-3-5-11-21-17/h1-3,5,7-9,11,14,18H,4,6,10,12-13H2/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone?
1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 348.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 99974769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).