4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene

C14H14N2 — CID 57158404

IUPAC4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene
SMILESC1=CC2C3=NC(CC4=CCN=CC43)C2C=C1
InChIInChI=1S/C14H14N2/c1-2-4-11-10(3-1)13-7-9-5-6-15-8-12(9)14(11)16-13/h1-5,8,10-13H,6-7H2
InChIKeyMNWFRTCSVLWIKD-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.20
Rot. Bonds

About 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene

4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene (PubChem CID 57158404) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene.

Molecular Properties

Compound Name4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene
PubChem CID57158404
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene
SMILESC1=CC2C3=NC(CC4=CCN=CC43)C2C=C1
InChIInChI=1S/C14H14N2/c1-2-4-11-10(3-1)13-7-9-5-6-15-8-12(9)14(11)16-13/h1-5,8,10-13H,6-7H2
InChIKeyMNWFRTCSVLWIKD-UHFFFAOYSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene 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

16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
1,4,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 53805899
6,8,9,10,10a,10b-Hexahydroindolo[4,3-fg]quinoline
CID 54016915
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),11,13-hexaene
CID 54509328
4,4a,4b,8a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57046091
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566
3,4,6,6a,7,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 57100469
4,4a,4b,5,6,8a-hexahydro-1H-pyrido[3,4-b]indole
CID 57132388
3a,4,6,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
CID 57290287
3a,4,6,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91183266
1,4,5,5a,5b,6,7,9a-Octahydroazepino[3,4-b]indole
CID 91334170
3-Azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene
CID 91445412

Frequently Asked Questions

What is the IUPAC name of 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene?
The IUPAC name of 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene (CID 57158404) is 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene.
What is the SMILES notation for 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene?
The canonical SMILES for 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene is C1=CC2C3=NC(CC4=CCN=CC43)C2C=C1.
What is the InChIKey of 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene?
The InChIKey is MNWFRTCSVLWIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-4-11-10(3-1)13-7-9-5-6-15-8-12(9)14(11)16-13/h1-5,8,10-13H,6-7H2.
What are the key properties of 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene?
4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene has a molecular weight of 210.28 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene is sourced from PubChem (CID 57158404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).