4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene

C18H14N2 — CID 151064001

IUPAC4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene
SMILESc1cc2cc3ccc4ccc5c(c4c3cc2[nH]1)NCC5
InChIInChI=1S/C18H14N2/c1-3-12-5-8-20-18(12)17-11(1)2-4-13-9-14-6-7-19-16(14)10-15(13)17/h1-4,6-7,9-10,19-20H,5,8H2
InChIKeyMGTIMJMEDOGPJY-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.44
Rot. Bonds

About 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene

4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene (PubChem CID 151064001) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene.

Molecular Properties

Compound Name4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene
PubChem CID151064001
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene
SMILESc1cc2cc3ccc4ccc5c(c4c3cc2[nH]1)NCC5
InChIInChI=1S/C18H14N2/c1-3-12-5-8-20-18(12)17-11(1)2-4-13-9-14-6-7-19-16(14)10-15(13)17/h1-4,6-7,9-10,19-20H,5,8H2
InChIKeyMGTIMJMEDOGPJY-UHFFFAOYSA-N
XLogP4.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene?
The IUPAC name of 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene (CID 151064001) is 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene.
What is the SMILES notation for 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene?
The canonical SMILES for 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene is c1cc2cc3ccc4ccc5c(c4c3cc2[nH]1)NCC5.
What is the InChIKey of 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene?
The InChIKey is MGTIMJMEDOGPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-3-12-5-8-20-18(12)17-11(1)2-4-13-9-14-6-7-19-16(14)10-15(13)17/h1-4,6-7,9-10,19-20H,5,8H2.
What are the key properties of 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene?
4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene has a molecular weight of 258.32 g/mol, XLogP of 4.44, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,18-diazapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19),16-octaene is sourced from PubChem (CID 151064001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).