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

C22H23NO2 — CID 51360687

IUPAC8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cc1OC
InChIInChI=1S/C22H23NO2/c1-23-9-8-16-17(14-6-7-19(24-2)20(11-14)25-3)12-18-13-4-5-15(10-13)21(18)22(16)23/h6-9,11-13,15H,4-5,10H2,1-3H3
InChIKeyTXTLCRIBOQQTCY-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.23
Rot. Bonds3

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

8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360687) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360687
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cc1OC
InChIInChI=1S/C22H23NO2/c1-23-9-8-16-17(14-6-7-19(24-2)20(11-14)25-3)12-18-13-4-5-15(10-13)21(18)22(16)23/h6-9,11-13,15H,4-5,10H2,1-3H3
InChIKeyTXTLCRIBOQQTCY-UHFFFAOYSA-N
XLogP5.23
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360687) is 8-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is COc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is TXTLCRIBOQQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-23-9-8-16-17(14-6-7-19(24-2)20(11-14)25-3)12-18-13-4-5-15(10-13)21(18)22(16)23/h6-9,11-13,15H,4-5,10H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 333.43 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).