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

C20H20ClN3OS — CID 167921455

IUPAC4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
SMILESCSc1ccc2ncnc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C20H20ClN3OS/c1-26-16-6-7-18-17(12-16)19(23-13-22-18)24-10-8-20(25,9-11-24)14-2-4-15(21)5-3-14/h2-7,12-13,25H,8-11H2,1H3
InChIKeyAETZTPUZMFXOKG-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.49
Rot. Bonds3

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

4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol (PubChem CID 167921455) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
PubChem CID167921455
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
SMILESCSc1ccc2ncnc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C20H20ClN3OS/c1-26-16-6-7-18-17(12-16)19(23-13-22-18)24-10-8-20(25,9-11-24)14-2-4-15(21)5-3-14/h2-7,12-13,25H,8-11H2,1H3
InChIKeyAETZTPUZMFXOKG-UHFFFAOYSA-N
XLogP4.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167902254
4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167836092
9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.6]undecane
CID 167828850
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 163356828
2-(6-methylsulfanylquinazolin-4-yl)-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 167874906
methyl 3-(6-methylsulfanylquinazolin-4-yl)-3-azaspiro[5.5]undecane-9-carboxylate
CID 167882933
4-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-6-methylsulfanylquinazoline
CID 166361257
9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 167748744
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol (CID 167921455) is 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol is CSc1ccc2ncnc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The InChIKey is AETZTPUZMFXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-26-16-6-7-18-17(12-16)19(23-13-22-18)24-10-8-20(25,9-11-24)14-2-4-15(21)5-3-14/h2-7,12-13,25H,8-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol has a molecular weight of 385.92 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 167921455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).