15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one

C19H24N2O2 — CID 78155425

IUPAC15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
SMILESCCC12CCCN3CCC4(O)c5ccccc5N(C(=O)CC1)C324
InChIInChI=1S/C19H24N2O2/c1-2-17-9-5-12-20-13-11-18(23)14-6-3-4-7-15(14)21(19(17,18)20)16(22)8-10-17/h3-4,6-7,23H,2,5,8-13H2,1H3
InChIKeyDUUKAPWRHRHNBO-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.61
Rot. Bonds1

About 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one

15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one (PubChem CID 78155425) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one.

Molecular Properties

Compound Name15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
PubChem CID78155425
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
SMILESCCC12CCCN3CCC4(O)c5ccccc5N(C(=O)CC1)C324
InChIInChI=1S/C19H24N2O2/c1-2-17-9-5-12-20-13-11-18(23)14-6-3-4-7-15(14)21(19(17,18)20)16(22)8-10-17/h3-4,6-7,23H,2,5,8-13H2,1H3
InChIKeyDUUKAPWRHRHNBO-UHFFFAOYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The IUPAC name of 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one (CID 78155425) is 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one.
What is the SMILES notation for 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The canonical SMILES for 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one is CCC12CCCN3CCC4(O)c5ccccc5N(C(=O)CC1)C324.
What is the InChIKey of 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The InChIKey is DUUKAPWRHRHNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-17-9-5-12-20-13-11-18(23)14-6-3-4-7-15(14)21(19(17,18)20)16(22)8-10-17/h3-4,6-7,23H,2,5,8-13H2,1H3.
What are the key properties of 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one has a molecular weight of 312.41 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one is sourced from PubChem (CID 78155425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).