11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene

C21H15N2O+ — CID 166030337

IUPAC11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene
SMILESCc1oc2cccc3c2c1c1c2c(cc[n+]1C)c1ccccc1n32
InChIInChI=1S/C21H15N2O/c1-12-18-19-16(8-5-9-17(19)24-12)23-15-7-4-3-6-13(15)14-10-11-22(2)21(18)20(14)23/h3-11H,1-2H3/q+1
InChIKeyQSXLTNWOOOYWKU-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.72
Rot. Bonds

About 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene

11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene (PubChem CID 166030337) has the molecular formula C21H15N2O+ and a molecular weight of 311.36 g/mol. Its IUPAC name is 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene.

Molecular Properties

Compound Name11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene
PubChem CID166030337
Molecular FormulaC21H15N2O+
Molecular Weight311.36 g/mol
Exact Mass311.12
IUPAC Name11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene
SMILESCc1oc2cccc3c2c1c1c2c(cc[n+]1C)c1ccccc1n32
InChIInChI=1S/C21H15N2O/c1-12-18-19-16(8-5-9-17(19)24-12)23-15-7-4-3-6-13(15)14-10-11-22(2)21(18)20(14)23/h3-11H,1-2H3/q+1
InChIKeyQSXLTNWOOOYWKU-UHFFFAOYSA-N
XLogP4.72
TPSA21.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene 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

trimethyl-(11,14,16-trimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane
CID 170684907
11,14,15-trimethyl-5-phenyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684448
11,14-dimethyl-19-propan-2-yl-18-oxa-1-aza-14-azoniahexacyclo[10.8.1.113,17.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,15,17(22),19-decaene
CID 170684387
3-fluoro-11,14-dimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684261
11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene-19-thiol
CID 170684585
32-oxa-20-azanonacyclo[18.10.1.19,12.02,19.04,17.05,10.011,16.021,26.027,31]dotriaconta-1(30),2(19),3,5(10),6,8,11(16),12,14,17,21,23,25,27(31),28-pentadecaene
CID 166096162
1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;ethane
CID 167576917
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
6,9-dimethyl-1-aza-6-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2(7),3,5,8,10,12(23),13,15(22),16,18,20-undecaene
CID 170235742
3-(2-isocyanopropan-2-yl)-11,14-dimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684967
11,14-dimethyl-3-(2-methylpropyl)-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685105
25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096

Frequently Asked Questions

What is the IUPAC name of 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene?
The IUPAC name of 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene (CID 166030337) is 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene.
What is the SMILES notation for 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene?
The canonical SMILES for 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene is Cc1oc2cccc3c2c1c1c2c(cc[n+]1C)c1ccccc1n32.
What is the InChIKey of 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene?
The InChIKey is QSXLTNWOOOYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N2O/c1-12-18-19-16(8-5-9-17(19)24-12)23-15-7-4-3-6-13(15)14-10-11-22(2)21(18)20(14)23/h3-11H,1-2H3/q+1.
What are the key properties of 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene?
11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene has a molecular weight of 311.36 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-dimethyl-15-oxa-1-aza-11-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,13,16,18,20(22)-decaene is sourced from PubChem (CID 166030337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).