(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione

C19H24N2O3 — CID 44520141

IUPAC(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione
SMILESCC[C@@]12CCCN3CCC(=O)c4ccccc4N(C(=O)[C@@H]31)[C@H](O)C2
InChIInChI=1S/C19H24N2O3/c1-2-19-9-5-10-20-11-8-15(22)13-6-3-4-7-14(13)21(16(23)12-19)18(24)17(19)20/h3-4,6-7,16-17,23H,2,5,8-12H2,1H3/t16-,17-,19+/m1/s1
InChIKeyQUTCWFPVUVMVTM-LMMKCTJWSA-N
MW328.41 g/mol
LogP2.19
Rot. Bonds1

About (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione

(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione (PubChem CID 44520141) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione.

Molecular Properties

Compound Name(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione
PubChem CID44520141
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione
SMILESCC[C@@]12CCCN3CCC(=O)c4ccccc4N(C(=O)[C@@H]31)[C@H](O)C2
InChIInChI=1S/C19H24N2O3/c1-2-19-9-5-10-20-11-8-15(22)13-6-3-4-7-14(13)21(16(23)12-19)18(24)17(19)20/h3-4,6-7,16-17,23H,2,5,8-12H2,1H3/t16-,17-,19+/m1/s1
InChIKeyQUTCWFPVUVMVTM-LMMKCTJWSA-N
XLogP2.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione?
The IUPAC name of (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione (CID 44520141) is (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione.
What is the SMILES notation for (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione?
The canonical SMILES for (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione is CC[C@@]12CCCN3CCC(=O)c4ccccc4N(C(=O)[C@@H]31)[C@H](O)C2.
What is the InChIKey of (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione?
The InChIKey is QUTCWFPVUVMVTM-LMMKCTJWSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-19-9-5-10-20-11-8-15(22)13-6-3-4-7-14(13)21(16(23)12-19)18(24)17(19)20/h3-4,6-7,16-17,23H,2,5,8-12H2,1H3/t16-,17-,19+/m1/s1.
What are the key properties of (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione?
(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione has a molecular weight of 328.41 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione is sourced from PubChem (CID 44520141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).