3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene

C18H20FN5O — CID 86267805

IUPAC3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene
SMILESCN1CCNCCCOc2ccc(F)c(c2)-c2cnc3ccc1nn23
InChIInChI=1S/C18H20FN5O/c1-23-9-8-20-7-2-10-25-13-3-4-15(19)14(11-13)16-12-21-17-5-6-18(23)22-24(16)17/h3-6,11-12,20H,2,7-10H2,1H3
InChIKeyRLBSOAHLEFONFM-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.34
Rot. Bonds

About 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene

3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene (PubChem CID 86267805) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene.

Molecular Properties

Compound Name3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene
PubChem CID86267805
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene
SMILESCN1CCNCCCOc2ccc(F)c(c2)-c2cnc3ccc1nn23
InChIInChI=1S/C18H20FN5O/c1-23-9-8-20-7-2-10-25-13-3-4-15(19)14(11-13)16-12-21-17-5-6-18(23)22-24(16)17/h3-6,11-12,20H,2,7-10H2,1H3
InChIKeyRLBSOAHLEFONFM-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene?
The IUPAC name of 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene (CID 86267805) is 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene.
What is the SMILES notation for 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene?
The canonical SMILES for 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene is CN1CCNCCCOc2ccc(F)c(c2)-c2cnc3ccc1nn23.
What is the InChIKey of 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene?
The InChIKey is RLBSOAHLEFONFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-23-9-8-20-7-2-10-25-13-3-4-15(19)14(11-13)16-12-21-17-5-6-18(23)22-24(16)17/h3-6,11-12,20H,2,7-10H2,1H3.
What are the key properties of 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene?
3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene has a molecular weight of 341.39 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene is sourced from PubChem (CID 86267805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).