16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene

C19H15NO5 — CID 10215314

IUPAC16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
SMILESCOc1cc2c(cc1OC)-c1cnc3cc4c(cc3c1CO2)OCO4
InChIInChI=1S/C19H15NO5/c1-21-16-4-11-12-7-20-14-5-19-18(24-9-25-19)3-10(14)13(12)8-23-15(11)6-17(16)22-2/h3-7H,8-9H2,1-2H3
InChIKeyNINUZQVCPZWTRX-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.54
Rot. Bonds2

About 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene

16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene (PubChem CID 10215314) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene.

Molecular Properties

Compound Name16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
PubChem CID10215314
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
SMILESCOc1cc2c(cc1OC)-c1cnc3cc4c(cc3c1CO2)OCO4
InChIInChI=1S/C19H15NO5/c1-21-16-4-11-12-7-20-14-5-19-18(24-9-25-19)3-10(14)13(12)8-23-15(11)6-17(16)22-2/h3-7H,8-9H2,1-2H3
InChIKeyNINUZQVCPZWTRX-UHFFFAOYSA-N
XLogP3.54
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene with MolForge

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Related Compounds

16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-20-carboxylic acid
CID 67471896
17,18-dimethoxy-14-methyl-5,7,11-trioxa-21-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaene;hydrochloride
CID 167810496
4-(16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-20-yl)-N,N-dimethylbutan-1-amine
CID 44572781
6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
CID 849845
16,17-dimethoxy-21-(oxolan-2-ylmethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 46897573
5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237
21-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 22139501
7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline
CID 112756280
16,17-dimethoxy-21-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 22139509
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
CID 91664973
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292

Frequently Asked Questions

What is the IUPAC name of 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene?
The IUPAC name of 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene (CID 10215314) is 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene.
What is the SMILES notation for 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene?
The canonical SMILES for 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene is COc1cc2c(cc1OC)-c1cnc3cc4c(cc3c1CO2)OCO4.
What is the InChIKey of 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene?
The InChIKey is NINUZQVCPZWTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-21-16-4-11-12-7-20-14-5-19-18(24-9-25-19)3-10(14)13(12)8-23-15(11)6-17(16)22-2/h3-7H,8-9H2,1-2H3.
What are the key properties of 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene?
16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene has a molecular weight of 337.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene is sourced from PubChem (CID 10215314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).