(8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one

C18H15NO4 — CID 155810326

IUPAC(8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one
SMILESCOc1cc2c3c(c1O)-c1ccccc1[C@@H]1OC(=O)N(CC2)[C@H]31
InChIInChI=1S/C18H15NO4/c1-22-12-8-9-6-7-19-15-13(9)14(16(12)20)10-4-2-3-5-11(10)17(15)23-18(19)21/h2-5,8,15,17,20H,6-7H2,1H3/t15-,17+/m1/s1
InChIKeyUCWPBQOGOVORJZ-WBVHZDCISA-N
MW309.32 g/mol
LogP3.17
Rot. Bonds1

About (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one

(8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one (PubChem CID 155810326) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one.

Molecular Properties

Compound Name(8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one
PubChem CID155810326
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one
SMILESCOc1cc2c3c(c1O)-c1ccccc1[C@@H]1OC(=O)N(CC2)[C@H]31
InChIInChI=1S/C18H15NO4/c1-22-12-8-9-6-7-19-15-13(9)14(16(12)20)10-4-2-3-5-11(10)17(15)23-18(19)21/h2-5,8,15,17,20H,6-7H2,1H3/t15-,17+/m1/s1
InChIKeyUCWPBQOGOVORJZ-WBVHZDCISA-N
XLogP3.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one?
The IUPAC name of (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one (CID 155810326) is (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one.
What is the SMILES notation for (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one?
The canonical SMILES for (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one is COc1cc2c3c(c1O)-c1ccccc1[C@@H]1OC(=O)N(CC2)[C@H]31.
What is the InChIKey of (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one?
The InChIKey is UCWPBQOGOVORJZ-WBVHZDCISA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-12-8-9-6-7-19-15-13(9)14(16(12)20)10-4-2-3-5-11(10)17(15)23-18(19)21/h2-5,8,15,17,20H,6-7H2,1H3/t15-,17+/m1/s1.
What are the key properties of (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one?
(8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one has a molecular weight of 309.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,19R)-17-hydroxy-16-methoxy-9-oxa-11-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,14,16-hexaen-10-one is sourced from PubChem (CID 155810326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).