(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene

C16H22N2 — CID 10083108

IUPAC(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
SMILESc1cc2c3c(c1)C[C@H]1CCCC[C@H]1N3CCNC2
InChIInChI=1S/C16H22N2/c1-2-7-15-12(4-1)10-13-5-3-6-14-11-17-8-9-18(15)16(13)14/h3,5-6,12,15,17H,1-2,4,7-11H2/t12-,15-/m1/s1
InChIKeyYHRJYSIYVCTRGG-IUODEOHRSA-N
MW242.37 g/mol
LogP2.71
Rot. Bonds

About (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene

(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene (PubChem CID 10083108) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene.

Molecular Properties

Compound Name(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
PubChem CID10083108
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
SMILESc1cc2c3c(c1)C[C@H]1CCCC[C@H]1N3CCNC2
InChIInChI=1S/C16H22N2/c1-2-7-15-12(4-1)10-13-5-3-6-14-11-17-8-9-18(15)16(13)14/h3,5-6,12,15,17H,1-2,4,7-11H2/t12-,15-/m1/s1
InChIKeyYHRJYSIYVCTRGG-IUODEOHRSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene 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

(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 21036483
(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
CID 10149473
(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
CID 16736934
(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 137458700
4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364424
(12S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CID 132502238
(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
CID 23652290
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;ethane
CID 90724531
1-cyclopropyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115030830
(2S,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055320
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 104557329
2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
CID 137440989

Frequently Asked Questions

What is the IUPAC name of (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
The IUPAC name of (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene (CID 10083108) is (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene.
What is the SMILES notation for (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
The canonical SMILES for (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene is c1cc2c3c(c1)C[C@H]1CCCC[C@H]1N3CCNC2.
What is the InChIKey of (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
The InChIKey is YHRJYSIYVCTRGG-IUODEOHRSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-7-15-12(4-1)10-13-5-3-6-14-11-17-8-9-18(15)16(13)14/h3,5-6,12,15,17H,1-2,4,7-11H2/t12-,15-/m1/s1.
What are the key properties of (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene has a molecular weight of 242.37 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene is sourced from PubChem (CID 10083108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).