16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one

C19H13NO6 — CID 135844959

IUPAC16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
SMILESCOc1cc2c(cc1O)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4
InChIInChI=1S/C19H13NO6/c1-23-12-6-9-10(5-11(12)21)16(22)15-13-8(3-4-20-15)17(24-2)19-18(14(9)13)25-7-26-19/h3-6,21H,7H2,1-2H3
InChIKeyWQASXWBMZSTCJF-UHFFFAOYSA-N
MW351.31 g/mol
LogP2.90
Rot. Bonds2

About 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one

16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one (PubChem CID 135844959) has the molecular formula C19H13NO6 and a molecular weight of 351.31 g/mol. Its IUPAC name is 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one.

Molecular Properties

Compound Name16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
PubChem CID135844959
Molecular FormulaC19H13NO6
Molecular Weight351.31 g/mol
Exact Mass351.07
IUPAC Name16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
SMILESCOc1cc2c(cc1O)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4
InChIInChI=1S/C19H13NO6/c1-23-12-6-9-10(5-11(12)21)16(22)15-13-8(3-4-20-15)17(24-2)19-18(14(9)13)25-7-26-19/h3-6,21H,7H2,1-2H3
InChIKeyWQASXWBMZSTCJF-UHFFFAOYSA-N
XLogP2.90
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),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-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one?
The IUPAC name of 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one (CID 135844959) is 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one.
What is the SMILES notation for 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one?
The canonical SMILES for 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one is COc1cc2c(cc1O)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4.
What is the InChIKey of 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one?
The InChIKey is WQASXWBMZSTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO6/c1-23-12-6-9-10(5-11(12)21)16(22)15-13-8(3-4-20-15)17(24-2)19-18(14(9)13)25-7-26-19/h3-6,21H,7H2,1-2H3.
What are the key properties of 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one?
16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one has a molecular weight of 351.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one is sourced from PubChem (CID 135844959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).