5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one

C19H11FN4O — CID 30466223

IUPAC5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one
SMILESO=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccccc1F
InChIInChI=1S/C19H11FN4O/c20-13-5-1-3-7-16(13)23-10-9-15-12(18(23)25)11-21-19-22-14-6-2-4-8-17(14)24(15)19/h1-11H
InChIKeyWCIUQPJMUDRTFC-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.33
Rot. Bonds1

About 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one

5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one (PubChem CID 30466223) has the molecular formula C19H11FN4O and a molecular weight of 330.32 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one
PubChem CID30466223
Molecular FormulaC19H11FN4O
Molecular Weight330.32 g/mol
Exact Mass330.09
IUPAC Name5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one
SMILESO=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccccc1F
InChIInChI=1S/C19H11FN4O/c20-13-5-1-3-7-16(13)23-10-9-15-12(18(23)25)11-21-19-22-14-6-2-4-8-17(14)24(15)19/h1-11H
InChIKeyWCIUQPJMUDRTFC-UHFFFAOYSA-N
XLogP3.33
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one?
The IUPAC name of 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one (CID 30466223) is 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one.
What is the SMILES notation for 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one?
The canonical SMILES for 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one is O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one?
The InChIKey is WCIUQPJMUDRTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN4O/c20-13-5-1-3-7-16(13)23-10-9-15-12(18(23)25)11-21-19-22-14-6-2-4-8-17(14)24(15)19/h1-11H.
What are the key properties of 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one?
5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one has a molecular weight of 330.32 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one is sourced from PubChem (CID 30466223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).