N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide

C22H16FN5O2S — CID 50755329

IUPACN-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O2S/c1-27(15-10-8-14(23)9-11-15)19(29)13-31-22-26-25-20-16-5-2-3-6-17(16)24-21(28(20)22)18-7-4-12-30-18/h2-12H,13H2,1H3
InChIKeySSOFOBNRZKEIHM-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.43
Rot. Bonds5

About N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide

N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide (PubChem CID 50755329) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide
PubChem CID50755329
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC NameN-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O2S/c1-27(15-10-8-14(23)9-11-15)19(29)13-31-22-26-25-20-16-5-2-3-6-17(16)24-21(28(20)22)18-7-4-12-30-18/h2-12H,13H2,1H3
InChIKeySSOFOBNRZKEIHM-UHFFFAOYSA-N
XLogP4.43
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
CID 22587822
2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 50755382
2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 50755280
N-(3-bromophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50755474
4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine
CID 50755180
methyl 2-[[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 50755383
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 7989593
2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N,N-diethylacetamide
CID 3227411
N-benzyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 7816845
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431025
N-butyl-N-methyl-2-[[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50814897
N-[1-(4-fluorophenyl)ethyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 46667510

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide (CID 50755329) is N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide is CN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide?
The InChIKey is SSOFOBNRZKEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c1-27(15-10-8-14(23)9-11-15)19(29)13-31-22-26-25-20-16-5-2-3-6-17(16)24-21(28(20)22)18-7-4-12-30-18/h2-12H,13H2,1H3.
What are the key properties of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide?
N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide has a molecular weight of 433.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 50755329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).