5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C20H20N4O2S — CID 24601166

IUPAC5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(OCCCSc2nc3ccccc3c3nc(C)nn23)cc1
InChIInChI=1S/C20H20N4O2S/c1-14-21-19-17-6-3-4-7-18(17)22-20(24(19)23-14)27-13-5-12-26-16-10-8-15(25-2)9-11-16/h3-4,6-11H,5,12-13H2,1-2H3
InChIKeyJWKQSDJEOATTTJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.16
Rot. Bonds7

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

5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 24601166) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID24601166
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(OCCCSc2nc3ccccc3c3nc(C)nn23)cc1
InChIInChI=1S/C20H20N4O2S/c1-14-21-19-17-6-3-4-7-18(17)22-20(24(19)23-14)27-13-5-12-26-16-10-8-15(25-2)9-11-16/h3-4,6-11H,5,12-13H2,1-2H3
InChIKeyJWKQSDJEOATTTJ-UHFFFAOYSA-N
XLogP4.16
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 39537017
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35364253
1-(3,4-dimethoxyphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16582127
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 3483877
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 55482715
2-(2,3-dimethoxyphenyl)-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-1,3-thiazole
CID 46683827
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 167961936
2-[3-(4-fluorophenoxy)propylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 112776655
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601221
3-benzyl-2-(3-phenoxypropylsulfanyl)quinazolin-4-one
CID 7626724
5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 16612283

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 24601166) is 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(OCCCSc2nc3ccccc3c3nc(C)nn23)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is JWKQSDJEOATTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14-21-19-17-6-3-4-7-18(17)22-20(24(19)23-14)27-13-5-12-26-16-10-8-15(25-2)9-11-16/h3-4,6-11H,5,12-13H2,1-2H3.
What are the key properties of 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 380.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 24601166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).