16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

C18H11NO5 — CID 154790989

IUPAC16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
SMILESCOc1cc2c(cc1O)C(=O)c1nccc3cc4c(c-2c13)OCO4
InChIInChI=1S/C18H11NO5/c1-22-12-6-9-10(5-11(12)20)17(21)16-14-8(2-3-19-16)4-13-18(15(9)14)24-7-23-13/h2-6,20H,7H2,1H3
InChIKeySGXQVIOTXFZYBY-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.89
Rot. Bonds1

About 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one (PubChem CID 154790989) has the molecular formula C18H11NO5 and a molecular weight of 321.29 g/mol. Its IUPAC name is 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one.

Molecular Properties

Compound Name16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
PubChem CID154790989
Molecular FormulaC18H11NO5
Molecular Weight321.29 g/mol
Exact Mass321.06
IUPAC Name16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
SMILESCOc1cc2c(cc1O)C(=O)c1nccc3cc4c(c-2c13)OCO4
InChIInChI=1S/C18H11NO5/c1-22-12-6-9-10(5-11(12)20)17(21)16-14-8(2-3-19-16)4-13-18(15(9)14)24-7-23-13/h2-6,20H,7H2,1H3
InChIKeySGXQVIOTXFZYBY-UHFFFAOYSA-N
XLogP2.89
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one?
The IUPAC name of 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one (CID 154790989) is 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one.
What is the SMILES notation for 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one?
The canonical SMILES for 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one is COc1cc2c(cc1O)C(=O)c1nccc3cc4c(c-2c13)OCO4.
What is the InChIKey of 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one?
The InChIKey is SGXQVIOTXFZYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO5/c1-22-12-6-9-10(5-11(12)20)17(21)16-14-8(2-3-19-16)4-13-18(15(9)14)24-7-23-13/h2-6,20H,7H2,1H3.
What are the key properties of 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one?
16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one has a molecular weight of 321.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one is sourced from PubChem (CID 154790989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).