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

C20H18ClNO5 — CID 167810496

IUPAC17,18-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
SMILESCOc1cc2nc3c(c(C)c2cc1OC)COc1cc2c(cc1-3)OCO2.Cl
InChIInChI=1S/C20H17NO5.ClH/c1-10-11-4-16(22-2)17(23-3)6-14(11)21-20-12-5-18-19(26-9-25-18)7-15(12)24-8-13(10)20;/h4-7H,8-9H2,1-3H3;1H
InChIKeyFKXNTQWSKVWFSN-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.27
Rot. Bonds2

About 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

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 (PubChem CID 167810496) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17,18-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
PubChem CID167810496
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name17,18-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
SMILESCOc1cc2nc3c(c(C)c2cc1OC)COc1cc2c(cc1-3)OCO2.Cl
InChIInChI=1S/C20H17NO5.ClH/c1-10-11-4-16(22-2)17(23-3)6-14(11)21-20-12-5-18-19(26-9-25-18)7-15(12)24-8-13(10)20;/h4-7H,8-9H2,1-3H3;1H
InChIKeyFKXNTQWSKVWFSN-UHFFFAOYSA-N
XLogP4.27
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2nc3c(c(C)c2cc1OC)COc1cc2c(cc1-3)OCO2.Cl.
What is the InChIKey of 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?
The InChIKey is FKXNTQWSKVWFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5.ClH/c1-10-11-4-16(22-2)17(23-3)6-14(11)21-20-12-5-18-19(26-9-25-18)7-15(12)24-8-13(10)20;/h4-7H,8-9H2,1-3H3;1H.
What are the key properties of 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?
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 has a molecular weight of 387.82 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167810496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).