4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

C12H16N2O2 — CID 146477744

IUPAC4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCOC1CC2COc3c(C)ccnc3N2C1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-13-12-11(8)16-7-9-5-10(15-2)6-14(9)12/h3-4,9-10H,5-7H2,1-2H3
InChIKeyXZFPTMWOHJZXPX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds1

About 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene

4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (PubChem CID 146477744) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.

Molecular Properties

Compound Name4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
PubChem CID146477744
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
SMILESCOC1CC2COc3c(C)ccnc3N2C1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-13-12-11(8)16-7-9-5-10(15-2)6-14(9)12/h3-4,9-10H,5-7H2,1-2H3
InChIKeyXZFPTMWOHJZXPX-UHFFFAOYSA-N
XLogP1.38
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene with MolForge

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Related Compounds

Rbi 257
CID 5041
U 101958
CID 5615
4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 51003564
U 99363
CID 133107
4-(2-methoxyethyl)-7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53317122
7-(cyclohexyloxymethyl)-4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53319741
4-ethyl-7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53321036
(E)-4-methyl-7-styryl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53326305
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-4-(phenylmethyl)-
CID 209259
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-4-(2-(diethylamino)ethyl)-, trihydrochloride
CID 3070857
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-4-(2-(dimethylamino)ethyl)-2-methyl-, trihydrochloride
CID 3070863
4H-Pyrido(3,2-b)-1,4-oxazine-4-ethanamine, 2,3-dihydro-N,N-diethyl-2-methyl-, trihydrochloride
CID 3070865

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The IUPAC name of 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene (CID 146477744) is 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene.
What is the SMILES notation for 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The canonical SMILES for 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is COC1CC2COc3c(C)ccnc3N2C1.
What is the InChIKey of 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
The InChIKey is XZFPTMWOHJZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-4-13-12-11(8)16-7-9-5-10(15-2)6-14(9)12/h3-4,9-10H,5-7H2,1-2H3.
What are the key properties of 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene?
4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene has a molecular weight of 220.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene is sourced from PubChem (CID 146477744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).