(15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione

C19H20N2O2 — CID 44626860

IUPAC(15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione
SMILESCC[C@@]12CCCN3C(=O)C=C4c5ccccc5N(C(=O)CC1)C432
InChIInChI=1S/C19H20N2O2/c1-2-18-9-5-11-20-17(23)12-14-13-6-3-4-7-15(13)21(19(14,18)20)16(22)8-10-18/h3-4,6-7,12H,2,5,8-11H2,1H3/t18-,19?/m1/s1
InChIKeyLUXCFVAZXZITNG-MRTLOADZSA-N
MW308.38 g/mol
LogP2.94
Rot. Bonds1

About (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione

(15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione (PubChem CID 44626860) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione.

Molecular Properties

Compound Name(15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione
PubChem CID44626860
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione
SMILESCC[C@@]12CCCN3C(=O)C=C4c5ccccc5N(C(=O)CC1)C432
InChIInChI=1S/C19H20N2O2/c1-2-18-9-5-11-20-17(23)12-14-13-6-3-4-7-15(13)21(19(14,18)20)16(22)8-10-18/h3-4,6-7,12H,2,5,8-11H2,1H3/t18-,19?/m1/s1
InChIKeyLUXCFVAZXZITNG-MRTLOADZSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione?
The IUPAC name of (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione (CID 44626860) is (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione.
What is the SMILES notation for (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione?
The canonical SMILES for (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione is CC[C@@]12CCCN3C(=O)C=C4c5ccccc5N(C(=O)CC1)C432.
What is the InChIKey of (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione?
The InChIKey is LUXCFVAZXZITNG-MRTLOADZSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-18-9-5-11-20-17(23)12-14-13-6-3-4-7-15(13)21(19(14,18)20)16(22)8-10-18/h3-4,6-7,12H,2,5,8-11H2,1H3/t18-,19?/m1/s1.
What are the key properties of (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione?
(15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione has a molecular weight of 308.38 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione is sourced from PubChem (CID 44626860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).