5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C18H15FN4OS — CID 39537017

IUPAC5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCCOc3cccc(F)c3)n2n1
InChIInChI=1S/C18H15FN4OS/c1-12-20-17-15-7-2-3-8-16(15)21-18(23(17)22-12)25-10-9-24-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3
InChIKeyMINDIFVOYFVQOE-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.90
Rot. Bonds5

About 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 39537017) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID39537017
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC Name5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCCOc3cccc(F)c3)n2n1
InChIInChI=1S/C18H15FN4OS/c1-12-20-17-15-7-2-3-8-16(15)21-18(23(17)22-12)25-10-9-24-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3
InChIKeyMINDIFVOYFVQOE-UHFFFAOYSA-N
XLogP3.90
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601166
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
2-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 6624310
1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35364253
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56573983
3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
CID 2082259
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601221
3-(2-ethoxyphenyl)-5-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24601265
1-(3,4-dimethoxyphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16582127
5-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 112807755
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 167961936
2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 3521435

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 39537017) is 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(SCCOc3cccc(F)c3)n2n1.
What is the InChIKey of 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is MINDIFVOYFVQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c1-12-20-17-15-7-2-3-8-16(15)21-18(23(17)22-12)25-10-9-24-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 354.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 39537017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).