2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene

C15H20N2O — CID 137440989

IUPAC2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
SMILESCOc1ccc2c3c1C1CCCC1N3CCNC2
InChIInChI=1S/C15H20N2O/c1-18-13-6-5-10-9-16-7-8-17-12-4-2-3-11(12)14(13)15(10)17/h5-6,11-12,16H,2-4,7-9H2,1H3
InChIKeyNRYYUOKUCLMSHS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.25
Rot. Bonds1

About 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene

2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene (PubChem CID 137440989) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene.

Molecular Properties

Compound Name2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
PubChem CID137440989
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
SMILESCOc1ccc2c3c1C1CCCC1N3CCNC2
InChIInChI=1S/C15H20N2O/c1-18-13-6-5-10-9-16-7-8-17-12-4-2-3-11(12)14(13)15(10)17/h5-6,11-12,16H,2-4,7-9H2,1H3
InChIKeyNRYYUOKUCLMSHS-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115030830
7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl hydrogen sulfate
CID 11566033
(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 137458700
3-[2-[[(11R,15R)-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-trien-2-yl]oxy]ethoxy]propanoic acid
CID 157221540
(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 21036483
(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 10083108
(2S,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055320
9-methoxy-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115032249
(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
(12S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CID 132502238
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The IUPAC name of 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene (CID 137440989) is 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene.
What is the SMILES notation for 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The canonical SMILES for 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene is COc1ccc2c3c1C1CCCC1N3CCNC2.
What is the InChIKey of 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The InChIKey is NRYYUOKUCLMSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-13-6-5-10-9-16-7-8-17-12-4-2-3-11(12)14(13)15(10)17/h5-6,11-12,16H,2-4,7-9H2,1H3.
What are the key properties of 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene has a molecular weight of 244.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene is sourced from PubChem (CID 137440989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).