1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone

C24H25N5OS — CID 4075040

IUPAC1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
SMILESO=C(CSc1nc2ccccc2c2nc(CCN3CCCCC3)nn12)c1ccccc1
InChIInChI=1S/C24H25N5OS/c30-21(18-9-3-1-4-10-18)17-31-24-25-20-12-6-5-11-19(20)23-26-22(27-29(23)24)13-16-28-14-7-2-8-15-28/h1,3-6,9-12H,2,7-8,13-17H2
InChIKeyINUMQWBZOOTBRQ-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.28
Rot. Bonds7

About 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone

1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone (PubChem CID 4075040) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
PubChem CID4075040
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
SMILESO=C(CSc1nc2ccccc2c2nc(CCN3CCCCC3)nn12)c1ccccc1
InChIInChI=1S/C24H25N5OS/c30-21(18-9-3-1-4-10-18)17-31-24-25-20-12-6-5-11-19(20)23-26-22(27-29(23)24)13-16-28-14-7-2-8-15-28/h1,3-6,9-12H,2,7-8,13-17H2
InChIKeyINUMQWBZOOTBRQ-UHFFFAOYSA-N
XLogP4.28
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride
CID 126479090
N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
CID 126479086
2-[(2-benzyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-bromophenyl)ethanone
CID 4068977
5-(2-piperidin-1-ylethylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16584668
1-(3,4-dichlorophenyl)-2-[[2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
CID 4074840
ethyl 2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetate
CID 4295497
5-(2-piperidin-1-ylethylsulfanyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16585517
1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16585536
N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 24601210
1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone
CID 5312029
1-(3,4-dimethoxyphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16582127
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 4144028

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone?
The IUPAC name of 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone (CID 4075040) is 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone?
The canonical SMILES for 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone is O=C(CSc1nc2ccccc2c2nc(CCN3CCCCC3)nn12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone?
The InChIKey is INUMQWBZOOTBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c30-21(18-9-3-1-4-10-18)17-31-24-25-20-12-6-5-11-19(20)23-26-22(27-29(23)24)13-16-28-14-7-2-8-15-28/h1,3-6,9-12H,2,7-8,13-17H2.
What are the key properties of 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone?
1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone has a molecular weight of 431.57 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone is sourced from PubChem (CID 4075040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).