13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene

C18H18N2O2 — CID 162658252

IUPAC13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCOc1cccc(Cn2ccc3c2-c2oncc2CCC3)c1
InChIInChI=1S/C18H18N2O2/c1-21-16-7-2-4-13(10-16)12-20-9-8-14-5-3-6-15-11-19-22-18(15)17(14)20/h2,4,7-11H,3,5-6,12H2,1H3
InChIKeyUHAANLHTGJYFLQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.69
Rot. Bonds3

About 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene

13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (PubChem CID 162658252) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene.

Molecular Properties

Compound Name13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
PubChem CID162658252
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCOc1cccc(Cn2ccc3c2-c2oncc2CCC3)c1
InChIInChI=1S/C18H18N2O2/c1-21-16-7-2-4-13(10-16)12-20-9-8-14-5-3-6-15-11-19-22-18(15)17(14)20/h2,4,7-11H,3,5-6,12H2,1H3
InChIKeyUHAANLHTGJYFLQ-UHFFFAOYSA-N
XLogP3.69
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The IUPAC name of 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (CID 162658252) is 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene.
What is the SMILES notation for 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The canonical SMILES for 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene is COc1cccc(Cn2ccc3c2-c2oncc2CCC3)c1.
What is the InChIKey of 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The InChIKey is UHAANLHTGJYFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-16-7-2-4-13(10-16)12-20-9-8-14-5-3-6-15-11-19-22-18(15)17(14)20/h2,4,7-11H,3,5-6,12H2,1H3.
What are the key properties of 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene has a molecular weight of 294.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene is sourced from PubChem (CID 162658252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).