10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C19H15N3O — CID 91474619

IUPAC10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESCOn1c2cc3c4ccccc4n(C)c3cc2c2ncccc21
InChIInChI=1S/C19H15N3O/c1-21-15-7-4-3-6-12(15)13-10-18-14(11-17(13)21)19-16(22(18)23-2)8-5-9-20-19/h3-11H,1-2H3
InChIKeyCLOLLJRETBTVGP-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.89
Rot. Bonds1

About 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 91474619) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID91474619
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESCOn1c2cc3c4ccccc4n(C)c3cc2c2ncccc21
InChIInChI=1S/C19H15N3O/c1-21-15-7-4-3-6-12(15)13-10-18-14(11-17(13)21)19-16(22(18)23-2)8-5-9-20-19/h3-11H,1-2H3
InChIKeyCLOLLJRETBTVGP-UHFFFAOYSA-N
XLogP3.89
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 91474619) is 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is COn1c2cc3c4ccccc4n(C)c3cc2c2ncccc21.
What is the InChIKey of 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is CLOLLJRETBTVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-21-15-7-4-3-6-12(15)13-10-18-14(11-17(13)21)19-16(22(18)23-2)8-5-9-20-19/h3-11H,1-2H3.
What are the key properties of 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 301.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-20-methyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 91474619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).