1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one

C18H23N3OS — CID 78761223

IUPAC1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ncnc2ccccc12
InChIInChI=1S/C18H23N3OS/c1-3-14-8-6-7-11-21(14)18(22)13(2)23-17-15-9-4-5-10-16(15)19-12-20-17/h4-5,9-10,12-14H,3,6-8,11H2,1-2H3
InChIKeyNJMKINOUZZMZJR-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one

1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one (PubChem CID 78761223) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
PubChem CID78761223
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ncnc2ccccc12
InChIInChI=1S/C18H23N3OS/c1-3-14-8-6-7-11-21(14)18(22)13(2)23-17-15-9-4-5-10-16(15)19-12-20-17/h4-5,9-10,12-14H,3,6-8,11H2,1-2H3
InChIKeyNJMKINOUZZMZJR-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913
1-[(2S)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403911
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 112783376
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 93250399
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 112778414
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324175
1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one
CID 46545523
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropan-1-one
CID 40565685
2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 55309208
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78762737
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324206
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 55472679

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one (CID 78761223) is 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one is CCC1CCCCN1C(=O)C(C)Sc1ncnc2ccccc12.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one?
The InChIKey is NJMKINOUZZMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-14-8-6-7-11-21(14)18(22)13(2)23-17-15-9-4-5-10-16(15)19-12-20-17/h4-5,9-10,12-14H,3,6-8,11H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one?
1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one has a molecular weight of 329.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one is sourced from PubChem (CID 78761223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).