6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene

C18H18FN5O — CID 146212496

IUPAC6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene
SMILESCC1Nc2ccc3ncnc(c3n2)NCCCOc2ccc(F)cc21
InChIInChI=1S/C18H18FN5O/c1-11-13-9-12(19)3-5-15(13)25-8-2-7-20-18-17-14(21-10-22-18)4-6-16(23-11)24-17/h3-6,9-11H,2,7-8H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyMUQFWMZBFHOBGB-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.53
Rot. Bonds

About 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene

6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene (PubChem CID 146212496) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene.

Molecular Properties

Compound Name6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene
PubChem CID146212496
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene
SMILESCC1Nc2ccc3ncnc(c3n2)NCCCOc2ccc(F)cc21
InChIInChI=1S/C18H18FN5O/c1-11-13-9-12(19)3-5-15(13)25-8-2-7-20-18-17-14(21-10-22-18)4-6-16(23-11)24-17/h3-6,9-11H,2,7-8H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyMUQFWMZBFHOBGB-UHFFFAOYSA-N
XLogP3.53
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene?
The IUPAC name of 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene (CID 146212496) is 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene.
What is the SMILES notation for 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene?
The canonical SMILES for 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene is CC1Nc2ccc3ncnc(c3n2)NCCCOc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene?
The InChIKey is MUQFWMZBFHOBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-11-13-9-12(19)3-5-15(13)25-8-2-7-20-18-17-14(21-10-22-18)4-6-16(23-11)24-17/h3-6,9-11H,2,7-8H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene?
6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene has a molecular weight of 339.37 g/mol, XLogP of 3.53, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-10-oxa-2,14,16,18,22-pentazatetracyclo[13.6.2.04,9.019,23]tricosa-1(22),4(9),5,7,15,17,19(23),20-octaene is sourced from PubChem (CID 146212496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).