16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one

C17H19N3O2 — CID 71626804

IUPAC16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
SMILESCC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCO)C1
InChIInChI=1S/C17H19N3O2/c1-17(2)8-11-15-13(9-17)20(6-7-21)12-5-3-4-10(14(12)15)16(22)19-18-11/h3-5,21H,6-9H2,1-2H3,(H,19,22)
InChIKeyANTJUZCADLKJBA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.05
Rot. Bonds2

About 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one

16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one (PubChem CID 71626804) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one.

Molecular Properties

Compound Name16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
PubChem CID71626804
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
SMILESCC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCO)C1
InChIInChI=1S/C17H19N3O2/c1-17(2)8-11-15-13(9-17)20(6-7-21)12-5-3-4-10(14(12)15)16(22)19-18-11/h3-5,21H,6-9H2,1-2H3,(H,19,22)
InChIKeyANTJUZCADLKJBA-UHFFFAOYSA-N
XLogP2.05
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one with MolForge

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Related Compounds

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CID 136242900
CID 136242900
CID 136242904
CID 136242904
CID 136242915
CID 136242915
CID 136242930
CID 136242930
CID 162643000
CID 162643000
CID 6868987
CID 6868987
CID 71626391
CID 71626391
CID 71626392
CID 71626392

Frequently Asked Questions

What is the IUPAC name of 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
The IUPAC name of 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one (CID 71626804) is 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one.
What is the SMILES notation for 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
The canonical SMILES for 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one is CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCO)C1.
What is the InChIKey of 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
The InChIKey is ANTJUZCADLKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2)8-11-15-13(9-17)20(6-7-21)12-5-3-4-10(14(12)15)16(22)19-18-11/h3-5,21H,6-9H2,1-2H3,(H,19,22).
What are the key properties of 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one has a molecular weight of 297.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2-hydroxyethyl)-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one is sourced from PubChem (CID 71626804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).