6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C21H19N3O — CID 59573562

IUPAC6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cccnc1N2c1cccc2c1CCCC2
InChIInChI=1S/C21H19N3O/c1-14-12-19-21(23-13-14)24(20-18(25-19)10-5-11-22-20)17-9-4-7-15-6-2-3-8-16(15)17/h4-5,7,9-13H,2-3,6,8H2,1H3
InChIKeyHHRUZZMGCXBTBA-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.24
Rot. Bonds1

About 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59573562) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59573562
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cccnc1N2c1cccc2c1CCCC2
InChIInChI=1S/C21H19N3O/c1-14-12-19-21(23-13-14)24(20-18(25-19)10-5-11-22-20)17-9-4-7-15-6-2-3-8-16(15)17/h4-5,7,9-13H,2-3,6,8H2,1H3
InChIKeyHHRUZZMGCXBTBA-UHFFFAOYSA-N
XLogP5.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59573562) is 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1cnc2c(c1)Oc1cccnc1N2c1cccc2c1CCCC2.
What is the InChIKey of 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is HHRUZZMGCXBTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-12-19-21(23-13-14)24(20-18(25-19)10-5-11-22-20)17-9-4-7-15-6-2-3-8-16(15)17/h4-5,7,9-13H,2-3,6,8H2,1H3.
What are the key properties of 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 329.40 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59573562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).