8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene

C24H22NO4+ — CID 155520228

IUPAC8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene
SMILESCCc1c2c(OC)c(OC)ccc2c2ccc3c4c(cc5c3c2[n+]1CC5)OCO4
InChIInChI=1S/C24H22NO4/c1-4-17-21-14(7-8-18(26-2)24(21)27-3)15-5-6-16-20-13(9-10-25(17)22(15)20)11-19-23(16)29-12-28-19/h5-8,11H,4,9-10,12H2,1-3H3/q+1
InChIKeyBKPUASIKPZVPFK-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.30
Rot. Bonds3

About 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene

8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene (PubChem CID 155520228) has the molecular formula C24H22NO4+ and a molecular weight of 388.44 g/mol. Its IUPAC name is 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene.

Molecular Properties

Compound Name8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene
PubChem CID155520228
Molecular FormulaC24H22NO4+
Molecular Weight388.44 g/mol
Exact Mass388.15
IUPAC Name8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene
SMILESCCc1c2c(OC)c(OC)ccc2c2ccc3c4c(cc5c3c2[n+]1CC5)OCO4
InChIInChI=1S/C24H22NO4/c1-4-17-21-14(7-8-18(26-2)24(21)27-3)15-5-6-16-20-13(9-10-25(17)22(15)20)11-19-23(16)29-12-28-19/h5-8,11H,4,9-10,12H2,1-3H3/q+1
InChIKeyBKPUASIKPZVPFK-UHFFFAOYSA-N
XLogP4.30
TPSA40.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene with MolForge

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Related Compounds

5,6-dimethoxy-8-prop-2-enyl-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene
CID 155530446
8-(4-chlorophenyl)-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene bromide
CID 155531405
5,6-dimethoxy-8-phenyl-20-propyl-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene
CID 155557463
14-ethyl-16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
CID 10597089
6-(bromomethoxy)-5-methoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene;hydrobromide
CID 71532701
(5-methoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaen-6-yl) acetate;hydrochloride
CID 71532403
16,17-dimethoxy-14-propyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
CID 10693093
(5-methoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaen-6-yl) 3-methoxybenzoate;hydrochloride
CID 71531986
tert-butyl N-[3-[(5-methoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaen-6-yl)oxy]propyl]carbamate
CID 157414507
2-(16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-14-yl)acetic acid
CID 3449604
3,16,17-trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 3082297
16-ethoxy-21-ethyl-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
CID 10429737

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene?
The IUPAC name of 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene (CID 155520228) is 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene.
What is the SMILES notation for 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene?
The canonical SMILES for 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene is CCc1c2c(OC)c(OC)ccc2c2ccc3c4c(cc5c3c2[n+]1CC5)OCO4.
What is the InChIKey of 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene?
The InChIKey is BKPUASIKPZVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22NO4/c1-4-17-21-14(7-8-18(26-2)24(21)27-3)15-5-6-16-20-13(9-10-25(17)22(15)20)11-19-23(16)29-12-28-19/h5-8,11H,4,9-10,12H2,1-3H3/q+1.
What are the key properties of 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene?
8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene has a molecular weight of 388.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5,6-dimethoxy-15,17-dioxa-9-azoniahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1,3,5,7,9(22),12,14(18),19(23),20-nonaene is sourced from PubChem (CID 155520228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).