4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol

C20H27N3OS — CID 167836092

IUPAC4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
SMILESCSc1ccc2ncnc(N3CCC(O)(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C20H27N3OS/c1-25-16-7-8-18-17(13-16)19(22-14-21-18)23-11-9-20(24,10-12-23)15-5-3-2-4-6-15/h7-8,13-15,24H,2-6,9-12H2,1H3
InChIKeyYDBRCGMOOGYORI-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.26
Rot. Bonds3

About 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol

4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol (PubChem CID 167836092) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
PubChem CID167836092
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
SMILESCSc1ccc2ncnc(N3CCC(O)(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C20H27N3OS/c1-25-16-7-8-18-17(13-16)19(22-14-21-18)23-11-9-20(24,10-12-23)15-5-3-2-4-6-15/h7-8,13-15,24H,2-6,9-12H2,1H3
InChIKeyYDBRCGMOOGYORI-UHFFFAOYSA-N
XLogP4.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.6]undecane
CID 167828850
4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167921455
methyl 3-(6-methylsulfanylquinazolin-4-yl)-3-azaspiro[5.5]undecane-9-carboxylate
CID 167882933
4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167902254
9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 167748744
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
2-(6-methylsulfanylquinazolin-4-yl)-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 167874906
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline
CID 167908748
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
CID 107403605

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol (CID 167836092) is 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol is CSc1ccc2ncnc(N3CCC(O)(C4CCCCC4)CC3)c2c1.
What is the InChIKey of 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The InChIKey is YDBRCGMOOGYORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-25-16-7-8-18-17(13-16)19(22-14-21-18)23-11-9-20(24,10-12-23)15-5-3-2-4-6-15/h7-8,13-15,24H,2-6,9-12H2,1H3.
What are the key properties of 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol has a molecular weight of 357.52 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 167836092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).