14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one

C18H22FN5O — CID 167704716

IUPAC14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
SMILESC=C1Nc2c(c3cnc(C)c(F)c3n(C)c2=O)N2CC(C)N(C)CC12
InChIInChI=1S/C18H22FN5O/c1-9-7-24-13(8-22(9)4)10(2)21-15-17(24)12-6-20-11(3)14(19)16(12)23(5)18(15)25/h6,9,13,21H,2,7-8H2,1,3-5H3
InChIKeyNCQLEYKBWADZDW-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.83
Rot. Bonds

About 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one

14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one (PubChem CID 167704716) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one.

Molecular Properties

Compound Name14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
PubChem CID167704716
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
SMILESC=C1Nc2c(c3cnc(C)c(F)c3n(C)c2=O)N2CC(C)N(C)CC12
InChIInChI=1S/C18H22FN5O/c1-9-7-24-13(8-22(9)4)10(2)21-15-17(24)12-6-20-11(3)14(19)16(12)23(5)18(15)25/h6,9,13,21H,2,7-8H2,1,3-5H3
InChIKeyNCQLEYKBWADZDW-UHFFFAOYSA-N
XLogP1.83
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
The IUPAC name of 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one (CID 167704716) is 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one.
What is the SMILES notation for 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
The canonical SMILES for 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one is C=C1Nc2c(c3cnc(C)c(F)c3n(C)c2=O)N2CC(C)N(C)CC12.
What is the InChIKey of 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
The InChIKey is NCQLEYKBWADZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-9-7-24-13(8-22(9)4)10(2)21-15-17(24)12-6-20-11(3)14(19)16(12)23(5)18(15)25/h6,9,13,21H,2,7-8H2,1,3-5H3.
What are the key properties of 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one has a molecular weight of 343.41 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-4,5,12,15-tetramethyl-8-methylidene-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one is sourced from PubChem (CID 167704716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).