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

C21H21NO — CID 51360674

IUPAC8-(2-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccccc1-c1cc2c(c3c1ccn3C)C1CCC2C1
InChIInChI=1S/C21H21NO/c1-22-10-9-16-18(15-5-3-4-6-19(15)23-2)12-17-13-7-8-14(11-13)20(17)21(16)22/h3-6,9-10,12-14H,7-8,11H2,1-2H3
InChIKeyDZHIOSAVXLTGSS-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.22
Rot. Bonds2

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

8-(2-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360674) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-4-methyl-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-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360674
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name8-(2-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccccc1-c1cc2c(c3c1ccn3C)C1CCC2C1
InChIInChI=1S/C21H21NO/c1-22-10-9-16-18(15-5-3-4-6-19(15)23-2)12-17-13-7-8-14(11-13)20(17)21(16)22/h3-6,9-10,12-14H,7-8,11H2,1-2H3
InChIKeyDZHIOSAVXLTGSS-UHFFFAOYSA-N
XLogP5.22
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-4-methyl-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-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360674) is 8-(2-methoxyphenyl)-4-methyl-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-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-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is COc1ccccc1-c1cc2c(c3c1ccn3C)C1CCC2C1.
What is the InChIKey of 8-(2-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is DZHIOSAVXLTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22-10-9-16-18(15-5-3-4-6-19(15)23-2)12-17-13-7-8-14(11-13)20(17)21(16)22/h3-6,9-10,12-14H,7-8,11H2,1-2H3.
What are the key properties of 8-(2-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(2-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 303.41 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).