15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C14H13N5O — CID 46882266

IUPAC15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCOc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2
InChIInChI=1S/C14H13N5O/c1-9-13-6-19-14(15-7-17-19)11-5-10(20-2)3-4-12(11)18(13)8-16-9/h3-5,7-8H,6H2,1-2H3
InChIKeyJTRKASCTFFUEOZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.81
Rot. Bonds1

About 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 46882266) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID46882266
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCOc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2
InChIInChI=1S/C14H13N5O/c1-9-13-6-19-14(15-7-17-19)11-5-10(20-2)3-4-12(11)18(13)8-16-9/h3-5,7-8H,6H2,1-2H3
InChIKeyJTRKASCTFFUEOZ-UHFFFAOYSA-N
XLogP1.81
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 46882266) is 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is COc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2.
What is the InChIKey of 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is JTRKASCTFFUEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-13-6-19-14(15-7-17-19)11-5-10(20-2)3-4-12(11)18(13)8-16-9/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 267.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 46882266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).