4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline

C21H22FN3OS — CID 167908748

IUPAC4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline
SMILESCSc1ccc2ncnc(N3CCC(OCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C21H22FN3OS/c1-27-18-6-7-20-19(12-18)21(24-14-23-20)25-10-8-17(9-11-25)26-13-15-2-4-16(22)5-3-15/h2-7,12,14,17H,8-11,13H2,1H3
InChIKeyZBKAQZAGZVSEHC-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.68
Rot. Bonds5

About 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline

4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline (PubChem CID 167908748) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline
PubChem CID167908748
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline
SMILESCSc1ccc2ncnc(N3CCC(OCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C21H22FN3OS/c1-27-18-6-7-20-19(12-18)21(24-14-23-20)25-10-8-17(9-11-25)26-13-15-2-4-16(22)5-3-15/h2-7,12,14,17H,8-11,13H2,1H3
InChIKeyZBKAQZAGZVSEHC-UHFFFAOYSA-N
XLogP4.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167836092
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702556
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
methyl 3-(6-methylsulfanylquinazolin-4-yl)-3-azaspiro[5.5]undecane-9-carboxylate
CID 167882933
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline (CID 167908748) is 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline is CSc1ccc2ncnc(N3CCC(OCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline?
The InChIKey is ZBKAQZAGZVSEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3OS/c1-27-18-6-7-20-19(12-18)21(24-14-23-20)25-10-8-17(9-11-25)26-13-15-2-4-16(22)5-3-15/h2-7,12,14,17H,8-11,13H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline?
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline has a molecular weight of 383.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline is sourced from PubChem (CID 167908748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).