11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene

C17H21FN4O — CID 167689707

IUPAC11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene
SMILESC=C1N=C2c3c(cc(C)c(F)c3OCC3CN(C)CCN23)N1C
InChIInChI=1S/C17H21FN4O/c1-10-7-13-14-16(15(10)18)23-9-12-8-20(3)5-6-22(12)17(14)19-11(2)21(13)4/h7,12H,2,5-6,8-9H2,1,3-4H3
InChIKeyPRLBOOYDIAJLSG-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.81
Rot. Bonds

About 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene

11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene (PubChem CID 167689707) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene.

Molecular Properties

Compound Name11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene
PubChem CID167689707
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene
SMILESC=C1N=C2c3c(cc(C)c(F)c3OCC3CN(C)CCN23)N1C
InChIInChI=1S/C17H21FN4O/c1-10-7-13-14-16(15(10)18)23-9-12-8-20(3)5-6-22(12)17(14)19-11(2)21(13)4/h7,12H,2,5-6,8-9H2,1,3-4H3
InChIKeyPRLBOOYDIAJLSG-UHFFFAOYSA-N
XLogP1.81
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene with MolForge

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Related Compounds

11-fluoro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene
CID 167600472
13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
CID 167639317
13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
CID 167538442
11-chloro-5,12,15-trimethyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
CID 167226896
11-fluoro-5,15-diiodo-12-methyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
CID 167105076
(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167192471
N-[(4aS)-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]acetamide
CID 138516016
11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one
CID 167626499
2-fluoro-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 170582043
(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 176723386
(4aR)-9-tert-butyl-3,11-dimethyl-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][4,1]benzoxazepine
CID 167219984
(8R)-13-(2,6-dimethylphenyl)-6-methyl-17,17-dioxo-10-oxa-17λ6-thia-3,6,14,16,23-pentazatetracyclo[16.3.1.111,15.03,8]tricosa-1(22),11(23),12,14,18,20-hexaen-2-one
CID 163246268

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene?
The IUPAC name of 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene (CID 167689707) is 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene.
What is the SMILES notation for 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene?
The canonical SMILES for 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene is C=C1N=C2c3c(cc(C)c(F)c3OCC3CN(C)CCN23)N1C.
What is the InChIKey of 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene?
The InChIKey is PRLBOOYDIAJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-10-7-13-14-16(15(10)18)23-9-12-8-20(3)5-6-22(12)17(14)19-11(2)21(13)4/h7,12H,2,5-6,8-9H2,1,3-4H3.
What are the key properties of 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene?
11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene has a molecular weight of 316.38 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene is sourced from PubChem (CID 167689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).