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

C21H20FNO — CID 51360690

IUPAC8-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cc1F
InChIInChI=1S/C21H20FNO/c1-23-8-7-15-16(13-5-6-19(24-2)18(22)10-13)11-17-12-3-4-14(9-12)20(17)21(15)23/h5-8,10-12,14H,3-4,9H2,1-2H3
InChIKeyGTHYPROXGYDWNY-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.36
Rot. Bonds2

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

8-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360690) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 8-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360690
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name8-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cc1F
InChIInChI=1S/C21H20FNO/c1-23-8-7-15-16(13-5-6-19(24-2)18(22)10-13)11-17-12-3-4-14(9-12)20(17)21(15)23/h5-8,10-12,14H,3-4,9H2,1-2H3
InChIKeyGTHYPROXGYDWNY-UHFFFAOYSA-N
XLogP5.36
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360690) is 8-(3-fluoro-4-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-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is COc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cc1F.
What is the InChIKey of 8-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is GTHYPROXGYDWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-23-8-7-15-16(13-5-6-19(24-2)18(22)10-13)11-17-12-3-4-14(9-12)20(17)21(15)23/h5-8,10-12,14H,3-4,9H2,1-2H3.
What are the key properties of 8-(3-fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(3-fluoro-4-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 321.40 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-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 51360690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).