2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline

C18H18N4O2 — CID 66508272

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
SMILESCC1CCc2c(cnc3nc(-c4ccc5c(c4)OCCO5)nn23)C1
InChIInChI=1S/C18H18N4O2/c1-11-2-4-14-13(8-11)10-19-18-20-17(21-22(14)18)12-3-5-15-16(9-12)24-7-6-23-15/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyAUZJMZQLHGJFJZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.69
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline (PubChem CID 66508272) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
PubChem CID66508272
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
SMILESCC1CCc2c(cnc3nc(-c4ccc5c(c4)OCCO5)nn23)C1
InChIInChI=1S/C18H18N4O2/c1-11-2-4-14-13(8-11)10-19-18-20-17(21-22(14)18)12-3-5-15-16(9-12)24-7-6-23-15/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyAUZJMZQLHGJFJZ-UHFFFAOYSA-N
XLogP2.69
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66508181
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-11-(2-methylcyclohexyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508948
11-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508886
11-(3,5-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508858
11-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66502011
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-11-(2-methylphenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508570
11-(3,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508665
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-11-(3-methoxypropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508980
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66502473
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-11-naphthalen-1-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66502469
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-11-[2-(4-methoxyphenyl)ethyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508600
11-(2,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508540

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline (CID 66508272) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline is CC1CCc2c(cnc3nc(-c4ccc5c(c4)OCCO5)nn23)C1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The InChIKey is AUZJMZQLHGJFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-2-4-14-13(8-11)10-19-18-20-17(21-22(14)18)12-3-5-15-16(9-12)24-7-6-23-15/h3,5,9-11H,2,4,6-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline has a molecular weight of 322.37 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline is sourced from PubChem (CID 66508272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).