2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

C19H28N4OS — CID 171992968

IUPAC2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1CCN(c2ncnc3c2CCCC3)CC1)N1CCSCC1
InChIInChI=1S/C19H28N4OS/c24-18(22-9-11-25-12-10-22)13-15-5-7-23(8-6-15)19-16-3-1-2-4-17(16)20-14-21-19/h14-15H,1-13H2
InChIKeyHEUGZWPGYBCQNM-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.54
Rot. Bonds3

About 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone

2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (PubChem CID 171992968) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
PubChem CID171992968
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1CCN(c2ncnc3c2CCCC3)CC1)N1CCSCC1
InChIInChI=1S/C19H28N4OS/c24-18(22-9-11-25-12-10-22)13-15-5-7-23(8-6-15)19-16-3-1-2-4-17(16)20-14-21-19/h14-15H,1-13H2
InChIKeyHEUGZWPGYBCQNM-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanone
CID 171996345
4-[4-(bromomethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 80669482
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992977
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(3aR,8aS)-2-(5,6,7,8-tetrahydroquinazolin-4-yl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]ethanone
CID 166318888
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992978
2-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994690
(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 155975797
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 62831697
1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol
CID 103773457
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994305

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone (CID 171992968) is 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is O=C(CC1CCN(c2ncnc3c2CCCC3)CC1)N1CCSCC1.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
The InChIKey is HEUGZWPGYBCQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c24-18(22-9-11-25-12-10-22)13-15-5-7-23(8-6-15)19-16-3-1-2-4-17(16)20-14-21-19/h14-15H,1-13H2.
What are the key properties of 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone?
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone has a molecular weight of 360.53 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 171992968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).