6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene

C18H20FN5O — CID 166630768

IUPAC6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
SMILESCN1Cc2cc(F)ccc2OCCCNCc2cnn3ccc1nc23
InChIInChI=1S/C18H20FN5O/c1-23-12-13-9-15(19)3-4-16(13)25-8-2-6-20-10-14-11-21-24-7-5-17(23)22-18(14)24/h3-5,7,9,11,20H,2,6,8,10,12H2,1H3
InChIKeyBUMLDCSARLLXFG-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.38
Rot. Bonds

About 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene

6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene (PubChem CID 166630768) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene.

Molecular Properties

Compound Name6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
PubChem CID166630768
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
SMILESCN1Cc2cc(F)ccc2OCCCNCc2cnn3ccc1nc23
InChIInChI=1S/C18H20FN5O/c1-23-12-13-9-15(19)3-4-16(13)25-8-2-6-20-10-14-11-21-24-7-5-17(23)22-18(14)24/h3-5,7,9,11,20H,2,6,8,10,12H2,1H3
InChIKeyBUMLDCSARLLXFG-UHFFFAOYSA-N
XLogP2.38
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene?
The IUPAC name of 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene (CID 166630768) is 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene.
What is the SMILES notation for 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene?
The canonical SMILES for 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene is CN1Cc2cc(F)ccc2OCCCNCc2cnn3ccc1nc23.
What is the InChIKey of 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene?
The InChIKey is BUMLDCSARLLXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-23-12-13-9-15(19)3-4-16(13)25-8-2-6-20-10-14-11-21-24-7-5-17(23)22-18(14)24/h3-5,7,9,11,20H,2,6,8,10,12H2,1H3.
What are the key properties of 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene?
6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene has a molecular weight of 341.39 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene is sourced from PubChem (CID 166630768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).