18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene

C23H17N2O+ — CID 176752971

IUPAC18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
SMILESCc1cccc2c3oc4ccc5ccccc5c4c3n3cc[n+](C)c3c12
InChIInChI=1S/C23H17N2O/c1-14-6-5-9-17-19(14)23-24(2)12-13-25(23)21-20-16-8-4-3-7-15(16)10-11-18(20)26-22(17)21/h3-13H,1-2H3/q+1
InChIKeySOYLDMYNZXVBRZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP5.28
Rot. Bonds

About 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene

18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene (PubChem CID 176752971) has the molecular formula C23H17N2O+ and a molecular weight of 337.40 g/mol. Its IUPAC name is 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
PubChem CID176752971
Molecular FormulaC23H17N2O+
Molecular Weight337.40 g/mol
Exact Mass337.13
IUPAC Name18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
SMILESCc1cccc2c3oc4ccc5ccccc5c4c3n3cc[n+](C)c3c12
InChIInChI=1S/C23H17N2O/c1-14-6-5-9-17-19(14)23-24(2)12-13-25(23)21-20-16-8-4-3-7-15(16)10-11-18(20)26-22(17)21/h3-13H,1-2H3/q+1
InChIKeySOYLDMYNZXVBRZ-UHFFFAOYSA-N
XLogP5.28
TPSA21.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

21,24-dimethyl-14-oxa-18-aza-21-azoniaheptacyclo[15.11.0.03,15.04,13.07,12.018,22.023,28]octacosa-1,3(15),4(13),5,7,9,11,16,19,21,23,25,27-tridecaene
CID 176752937
13,16-dimethyl-31-oxa-2-aza-16-azoniaoctacyclo[15.15.0.02,15.03,8.09,14.020,32.021,30.022,27]dotriaconta-1(17),3,5,7,9,11,13,15,18,20(32),21(30),22,24,26,28-pentadecaene
CID 177124526
5,8-dimethyl-16-oxa-2-aza-5-azoniahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7,9,11,14,17,19,21,23-undecaene
CID 176752952
15,18-dimethyl-13-oxa-1-aza-15-azoniaheptacyclo[14.12.0.02,14.03,12.04,9.017,22.023,28]octacosa-2(14),3(12),4,6,8,10,15,17,19,21,23,25,27-tridecaene
CID 177124588
2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)isoquinolin-2-ium
CID 140827868
1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium
CID 90684791
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021
2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridin-1-ium
CID 140827689
9-fluoro-3,5,19-trimethyl-11-oxa-3-aza-5-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),4,6,8,12,14,16(20),17-nonaene
CID 166053783
1,3-dimethyl-2-(6-methyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)imidazol-1-ium
CID 176787528
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
1-methylbenzo[e][1]benzofuran
CID 13085655

Frequently Asked Questions

What is the IUPAC name of 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene?
The IUPAC name of 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene (CID 176752971) is 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene.
What is the SMILES notation for 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene?
The canonical SMILES for 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene is Cc1cccc2c3oc4ccc5ccccc5c4c3n3cc[n+](C)c3c12.
What is the InChIKey of 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene?
The InChIKey is SOYLDMYNZXVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2O/c1-14-6-5-9-17-19(14)23-24(2)12-13-25(23)21-20-16-8-4-3-7-15(16)10-11-18(20)26-22(17)21/h3-13H,1-2H3/q+1.
What are the key properties of 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene?
18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene has a molecular weight of 337.40 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18,21-dimethyl-12-oxa-24-aza-21-azoniahexacyclo[11.11.0.02,11.03,8.014,19.020,24]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene is sourced from PubChem (CID 176752971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).