12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene

C14H12N2O — CID 113315472

IUPAC12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
SMILESCc1ccc2nc3c(n2c1)CCc1occc1-3
InChIInChI=1S/C14H12N2O/c1-9-2-5-13-15-14-10-6-7-17-12(10)4-3-11(14)16(13)8-9/h2,5-8H,3-4H2,1H3
InChIKeyNQQAGJZFMMOWNC-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.00
Rot. Bonds

About 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene

12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene (PubChem CID 113315472) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene.

Molecular Properties

Compound Name12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
PubChem CID113315472
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
SMILESCc1ccc2nc3c(n2c1)CCc1occc1-3
InChIInChI=1S/C14H12N2O/c1-9-2-5-13-15-14-10-6-7-17-12(10)4-3-11(14)16(13)8-9/h2,5-8H,3-4H2,1H3
InChIKeyNQQAGJZFMMOWNC-UHFFFAOYSA-N
XLogP3.00
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The IUPAC name of 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene (CID 113315472) is 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene.
What is the SMILES notation for 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The canonical SMILES for 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene is Cc1ccc2nc3c(n2c1)CCc1occc1-3.
What is the InChIKey of 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The InChIKey is NQQAGJZFMMOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-2-5-13-15-14-10-6-7-17-12(10)4-3-11(14)16(13)8-9/h2,5-8H,3-4H2,1H3.
What are the key properties of 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene has a molecular weight of 224.26 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene is sourced from PubChem (CID 113315472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).