8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C20H19NO2 — CID 51360694

IUPAC8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccccc1-c1cc2c(c3c1ccn3C)C1CCC2O1
InChIInChI=1S/C20H19NO2/c1-21-10-9-13-14(12-5-3-4-6-16(12)22-2)11-15-17-7-8-18(23-17)19(15)20(13)21/h3-6,9-11,17-18H,7-8H2,1-2H3
InChIKeyGXNQDCJXEQAERS-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.76
Rot. Bonds2

About 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360694) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360694
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccccc1-c1cc2c(c3c1ccn3C)C1CCC2O1
InChIInChI=1S/C20H19NO2/c1-21-10-9-13-14(12-5-3-4-6-16(12)22-2)11-15-17-7-8-18(23-17)19(15)20(13)21/h3-6,9-11,17-18H,7-8H2,1-2H3
InChIKeyGXNQDCJXEQAERS-UHFFFAOYSA-N
XLogP4.76
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360694) is 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is COc1ccccc1-c1cc2c(c3c1ccn3C)C1CCC2O1.
What is the InChIKey of 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is GXNQDCJXEQAERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21-10-9-13-14(12-5-3-4-6-16(12)22-2)11-15-17-7-8-18(23-17)19(15)20(13)21/h3-6,9-11,17-18H,7-8H2,1-2H3.
What are the key properties of 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 305.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).