6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C22H19N3O2 — CID 59573178

IUPAC6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCc1cnc2c(c1)OC(=O)c1cccnc1N2c1cccc2c1CCCC2
InChIInChI=1S/C22H19N3O2/c1-14-12-19-21(24-13-14)25(20-17(22(26)27-19)9-5-11-23-20)18-10-4-7-15-6-2-3-8-16(15)18/h4-5,7,9-13H,2-3,6,8H2,1H3
InChIKeyYURQQKFEDWCHCD-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.67
Rot. Bonds1

About 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (PubChem CID 59573178) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.

Molecular Properties

Compound Name6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
PubChem CID59573178
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCc1cnc2c(c1)OC(=O)c1cccnc1N2c1cccc2c1CCCC2
InChIInChI=1S/C22H19N3O2/c1-14-12-19-21(24-13-14)25(20-17(22(26)27-19)9-5-11-23-20)18-10-4-7-15-6-2-3-8-16(15)18/h4-5,7,9-13H,2-3,6,8H2,1H3
InChIKeyYURQQKFEDWCHCD-UHFFFAOYSA-N
XLogP4.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one 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-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The IUPAC name of 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (CID 59573178) is 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
What is the SMILES notation for 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The canonical SMILES for 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is Cc1cnc2c(c1)OC(=O)c1cccnc1N2c1cccc2c1CCCC2.
What is the InChIKey of 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The InChIKey is YURQQKFEDWCHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-12-19-21(24-13-14)25(20-17(22(26)27-19)9-5-11-23-20)18-10-4-7-15-6-2-3-8-16(15)18/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-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one has a molecular weight of 357.41 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is sourced from PubChem (CID 59573178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).