15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one

C19H12FN5O2 — CID 71291926

IUPAC15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one
SMILESNc1nc2c3c(ccn3n1)N(c1ccc(O)cc1F)C(=O)c1ccccc1-2
InChIInChI=1S/C19H12FN5O2/c20-13-9-10(26)5-6-14(13)25-15-7-8-24-17(15)16(22-19(21)23-24)11-3-1-2-4-12(11)18(25)27/h1-9,26H,(H2,21,23)
InChIKeyMBXYXYOWKPZGOA-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.12
Rot. Bonds1

About 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one

15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one (PubChem CID 71291926) has the molecular formula C19H12FN5O2 and a molecular weight of 361.34 g/mol. Its IUPAC name is 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one.

Molecular Properties

Compound Name15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one
PubChem CID71291926
Molecular FormulaC19H12FN5O2
Molecular Weight361.34 g/mol
Exact Mass361.10
IUPAC Name15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one
SMILESNc1nc2c3c(ccn3n1)N(c1ccc(O)cc1F)C(=O)c1ccccc1-2
InChIInChI=1S/C19H12FN5O2/c20-13-9-10(26)5-6-14(13)25-15-7-8-24-17(15)16(22-19(21)23-24)11-3-1-2-4-12(11)18(25)27/h1-9,26H,(H2,21,23)
InChIKeyMBXYXYOWKPZGOA-UHFFFAOYSA-N
XLogP3.12
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one?
The IUPAC name of 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one (CID 71291926) is 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one.
What is the SMILES notation for 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one?
The canonical SMILES for 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one is Nc1nc2c3c(ccn3n1)N(c1ccc(O)cc1F)C(=O)c1ccccc1-2.
What is the InChIKey of 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one?
The InChIKey is MBXYXYOWKPZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O2/c20-13-9-10(26)5-6-14(13)25-15-7-8-24-17(15)16(22-19(21)23-24)11-3-1-2-4-12(11)18(25)27/h1-9,26H,(H2,21,23).
What are the key properties of 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one?
15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one has a molecular weight of 361.34 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-9-(2-fluoro-4-hydroxyphenyl)-9,13,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-8-one is sourced from PubChem (CID 71291926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).