15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol

C19H24N2O2 — CID 73006730

IUPAC15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
SMILESOCCC12CCCN3CCc4c(n(c5ccccc45)C(O)C1)C32
InChIInChI=1S/C19H24N2O2/c22-11-8-19-7-3-9-20-10-6-14-13-4-1-2-5-15(13)21(16(23)12-19)17(14)18(19)20/h1-2,4-5,16,18,22-23H,3,6-12H2
InChIKeyBEOISZGDGSWYCY-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.60
Rot. Bonds2

About 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol

15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol (PubChem CID 73006730) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol.

Molecular Properties

Compound Name15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
PubChem CID73006730
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
SMILESOCCC12CCCN3CCc4c(n(c5ccccc45)C(O)C1)C32
InChIInChI=1S/C19H24N2O2/c22-11-8-19-7-3-9-20-10-6-14-13-4-1-2-5-15(13)21(16(23)12-19)17(14)18(19)20/h1-2,4-5,16,18,22-23H,3,6-12H2
InChIKeyBEOISZGDGSWYCY-UHFFFAOYSA-N
XLogP2.60
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
The IUPAC name of 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol (CID 73006730) is 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol.
What is the SMILES notation for 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
The canonical SMILES for 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol is OCCC12CCCN3CCc4c(n(c5ccccc45)C(O)C1)C32.
What is the InChIKey of 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
The InChIKey is BEOISZGDGSWYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-11-8-19-7-3-9-20-10-6-14-13-4-1-2-5-15(13)21(16(23)12-19)17(14)18(19)20/h1-2,4-5,16,18,22-23H,3,6-12H2.
What are the key properties of 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol has a molecular weight of 312.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol is sourced from PubChem (CID 73006730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).