4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine

C21H20FN5O2S — CID 78867230

IUPAC4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine
SMILESFc1ccc(CSc2nnc(N3CCOCC3)n2Cc2ccco2)c2ncccc12
InChIInChI=1S/C21H20FN5O2S/c22-18-6-5-15(19-17(18)4-1-7-23-19)14-30-21-25-24-20(26-8-11-28-12-9-26)27(21)13-16-3-2-10-29-16/h1-7,10H,8-9,11-14H2
InChIKeyPPKWLOOFQRNVRA-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.74
Rot. Bonds6

About 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine

4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 78867230) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID78867230
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine
SMILESFc1ccc(CSc2nnc(N3CCOCC3)n2Cc2ccco2)c2ncccc12
InChIInChI=1S/C21H20FN5O2S/c22-18-6-5-15(19-17(18)4-1-7-23-19)14-30-21-25-24-20(26-8-11-28-12-9-26)27(21)13-16-3-2-10-29-16/h1-7,10H,8-9,11-14H2
InChIKeyPPKWLOOFQRNVRA-UHFFFAOYSA-N
XLogP3.74
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-8-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 78867181
1-[5-[(3-bromo-4-fluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 55861066
N-cyclopentyl-N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112842972
4-[4-benzyl-5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 27780497
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 38867233
3-(4-chlorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole
CID 2481900
2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 18144121
3-[(3-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole
CID 55547989
3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 31906112
1-[5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 55502393
2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 56519985
3-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol
CID 110882929

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine (CID 78867230) is 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine is Fc1ccc(CSc2nnc(N3CCOCC3)n2Cc2ccco2)c2ncccc12.
What is the InChIKey of 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is PPKWLOOFQRNVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c22-18-6-5-15(19-17(18)4-1-7-23-19)14-30-21-25-24-20(26-8-11-28-12-9-26)27(21)13-16-3-2-10-29-16/h1-7,10H,8-9,11-14H2.
What are the key properties of 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 425.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 78867230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).