11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol

C19H16N2O — CID 155598899

IUPAC11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol
SMILESCC1(O)C2=CCCc3cccc(c32)-c2nc3ccccc3n21
InChIInChI=1S/C19H16N2O/c1-19(22)14-9-5-7-12-6-4-8-13(17(12)14)18-20-15-10-2-3-11-16(15)21(18)19/h2-4,6,8-11,22H,5,7H2,1H3
InChIKeyOLJJVQKFGGPFQY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.71
Rot. Bonds

About 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol

11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol (PubChem CID 155598899) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol.

Molecular Properties

Compound Name11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol
PubChem CID155598899
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol
SMILESCC1(O)C2=CCCc3cccc(c32)-c2nc3ccccc3n21
InChIInChI=1S/C19H16N2O/c1-19(22)14-9-5-7-12-6-4-8-13(17(12)14)18-20-15-10-2-3-11-16(15)21(18)19/h2-4,6,8-11,22H,5,7H2,1H3
InChIKeyOLJJVQKFGGPFQY-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol?
The IUPAC name of 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol (CID 155598899) is 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol.
What is the SMILES notation for 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol?
The canonical SMILES for 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol is CC1(O)C2=CCCc3cccc(c32)-c2nc3ccccc3n21.
What is the InChIKey of 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol?
The InChIKey is OLJJVQKFGGPFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-19(22)14-9-5-7-12-6-4-8-13(17(12)14)18-20-15-10-2-3-11-16(15)21(18)19/h2-4,6,8-11,22H,5,7H2,1H3.
What are the key properties of 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol?
11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol has a molecular weight of 288.35 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaen-11-ol is sourced from PubChem (CID 155598899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).