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

C18H18N2O2 — CID 155814453

IUPAC13-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCOc1ccc(Cn2ccc3c2-c2oncc2CCC3)cc1
InChIInChI=1S/C18H18N2O2/c1-21-16-7-5-13(6-8-16)12-20-10-9-14-3-2-4-15-11-19-22-18(15)17(14)20/h5-11H,2-4,12H2,1H3
InChIKeyGESFYPMANRCELM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.69
Rot. Bonds3

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

13-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (PubChem CID 155814453) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 13-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene.

Molecular Properties

Compound Name13-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
PubChem CID155814453
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name13-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCOc1ccc(Cn2ccc3c2-c2oncc2CCC3)cc1
InChIInChI=1S/C18H18N2O2/c1-21-16-7-5-13(6-8-16)12-20-10-9-14-3-2-4-15-11-19-22-18(15)17(14)20/h5-11H,2-4,12H2,1H3
InChIKeyGESFYPMANRCELM-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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Related Compounds

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CID 162645111
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CID 155805049
CID 155805049
CID 155808209
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CID 155813024
CID 155813024
CID 162653735
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CID 162658944
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CID 15958520
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CID 44393730
CID 44393730

Frequently Asked Questions

What is the IUPAC name of 13-[(4-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-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (CID 155814453) is 13-[(4-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-[(4-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-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene is COc1ccc(Cn2ccc3c2-c2oncc2CCC3)cc1.
What is the InChIKey of 13-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The InChIKey is GESFYPMANRCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-16-7-5-13(6-8-16)12-20-10-9-14-3-2-4-15-11-19-22-18(15)17(14)20/h5-11H,2-4,12H2,1H3.
What are the key properties of 13-[(4-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
13-[(4-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-[(4-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 155814453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).