2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C22H19N3O — CID 59572482

IUPAC2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1cnc2c(c1)C=Cc1cccnc1N2c1cccc2c1OCCC2
InChIInChI=1S/C22H19N3O/c1-15-13-18-10-9-17-6-3-11-23-21(17)25(22(18)24-14-15)19-8-2-5-16-7-4-12-26-20(16)19/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3
InChIKeyTZRMIGKRCBYGCG-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.06
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 59572482) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID59572482
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1cnc2c(c1)C=Cc1cccnc1N2c1cccc2c1OCCC2
InChIInChI=1S/C22H19N3O/c1-15-13-18-10-9-17-6-3-11-23-21(17)25(22(18)24-14-15)19-8-2-5-16-7-4-12-26-20(16)19/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3
InChIKeyTZRMIGKRCBYGCG-UHFFFAOYSA-N
XLogP5.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 59572482) is 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is Cc1cnc2c(c1)C=Cc1cccnc1N2c1cccc2c1OCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is TZRMIGKRCBYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-13-18-10-9-17-6-3-11-23-21(17)25(22(18)24-14-15)19-8-2-5-16-7-4-12-26-20(16)19/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 341.41 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 59572482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).