13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

C15H12N2O — CID 115403744

IUPAC13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCc1ccc2nc3c(n2c1)COc1ccccc1-3
InChIInChI=1S/C15H12N2O/c1-10-6-7-14-16-15-11-4-2-3-5-13(11)18-9-12(15)17(14)8-10/h2-8H,9H2,1H3
InChIKeySSVZZIJBFJKRTH-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.20
Rot. Bonds

About 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (PubChem CID 115403744) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.

Molecular Properties

Compound Name13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
PubChem CID115403744
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCc1ccc2nc3c(n2c1)COc1ccccc1-3
InChIInChI=1S/C15H12N2O/c1-10-6-7-14-16-15-11-4-2-3-5-13(11)18-9-12(15)17(14)8-10/h2-8H,9H2,1H3
InChIKeySSVZZIJBFJKRTH-UHFFFAOYSA-N
XLogP3.20
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The IUPAC name of 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (CID 115403744) is 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.
What is the SMILES notation for 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The canonical SMILES for 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is Cc1ccc2nc3c(n2c1)COc1ccccc1-3.
What is the InChIKey of 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The InChIKey is SSVZZIJBFJKRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-6-7-14-16-15-11-4-2-3-5-13(11)18-9-12(15)17(14)8-10/h2-8H,9H2,1H3.
What are the key properties of 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene has a molecular weight of 236.27 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is sourced from PubChem (CID 115403744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).