6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol

C22H19NO4 — CID 101227702

IUPAC6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol
SMILESCOc1cccc2c1C1(O)c3c(OC)cccc3N2c2cccc(OC)c21
InChIInChI=1S/C22H19NO4/c1-25-16-10-4-7-13-19(16)22(24)20-14(8-5-11-17(20)26-2)23(13)15-9-6-12-18(27-3)21(15)22/h4-12,24H,1-3H3
InChIKeyBXONBAHCNJHOSD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.09
Rot. Bonds3

About 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol

6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol (PubChem CID 101227702) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol.

Molecular Properties

Compound Name6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol
PubChem CID101227702
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol
SMILESCOc1cccc2c1C1(O)c3c(OC)cccc3N2c2cccc(OC)c21
InChIInChI=1S/C22H19NO4/c1-25-16-10-4-7-13-19(16)22(24)20-14(8-5-11-17(20)26-2)23(13)15-9-6-12-18(27-3)21(15)22/h4-12,24H,1-3H3
InChIKeyBXONBAHCNJHOSD-UHFFFAOYSA-N
XLogP4.09
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol?
The IUPAC name of 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol (CID 101227702) is 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol.
What is the SMILES notation for 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol?
The canonical SMILES for 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol is COc1cccc2c1C1(O)c3c(OC)cccc3N2c2cccc(OC)c21.
What is the InChIKey of 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol?
The InChIKey is BXONBAHCNJHOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-16-10-4-7-13-19(16)22(24)20-14(8-5-11-17(20)26-2)23(13)15-9-6-12-18(27-3)21(15)22/h4-12,24H,1-3H3.
What are the key properties of 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol?
6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol has a molecular weight of 361.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol is sourced from PubChem (CID 101227702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).