22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene

C24H17FN2O — CID 46830442

IUPAC22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene
SMILESCCn1c2ccccc2c2c3cc4c(nc3ccc21)-c1cc(F)ccc1OC4
InChIInChI=1S/C24H17FN2O/c1-2-27-20-6-4-3-5-16(20)23-17-11-14-13-28-22-10-7-15(25)12-18(22)24(14)26-19(17)8-9-21(23)27/h3-12H,2,13H2,1H3
InChIKeyQPNCMBRUZVWNGX-UHFFFAOYSA-N
MW368.41 g/mol
LogP6.06
Rot. Bonds1

About 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene

22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene (PubChem CID 46830442) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene.

Molecular Properties

Compound Name22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene
PubChem CID46830442
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene
SMILESCCn1c2ccccc2c2c3cc4c(nc3ccc21)-c1cc(F)ccc1OC4
InChIInChI=1S/C24H17FN2O/c1-2-27-20-6-4-3-5-16(20)23-17-11-14-13-28-22-10-7-15(25)12-18(22)24(14)26-19(17)8-9-21(23)27/h3-12H,2,13H2,1H3
InChIKeyQPNCMBRUZVWNGX-UHFFFAOYSA-N
XLogP6.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene?
The IUPAC name of 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene (CID 46830442) is 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene.
What is the SMILES notation for 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene?
The canonical SMILES for 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene is CCn1c2ccccc2c2c3cc4c(nc3ccc21)-c1cc(F)ccc1OC4.
What is the InChIKey of 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene?
The InChIKey is QPNCMBRUZVWNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c1-2-27-20-6-4-3-5-16(20)23-17-11-14-13-28-22-10-7-15(25)12-18(22)24(14)26-19(17)8-9-21(23)27/h3-12H,2,13H2,1H3.
What are the key properties of 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene?
22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene has a molecular weight of 368.41 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-ethyl-6-fluoro-10-oxa-2,22-diazahexacyclo[12.11.0.03,12.04,9.015,23.016,21]pentacosa-1(14),2,4(9),5,7,12,15(23),16,18,20,24-undecaene is sourced from PubChem (CID 46830442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).