14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

C26H17FN2O2 — CID 58240658

IUPAC14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1cc2c3c4cccnc4oc(=O)c3n(Cc3ccc4ccccc4c3)c2cc1F
InChIInChI=1S/C26H17FN2O2/c1-15-11-20-22(13-21(15)27)29(14-16-8-9-17-5-2-3-6-18(17)12-16)24-23(20)19-7-4-10-28-25(19)31-26(24)30/h2-13H,14H2,1H3
InChIKeyRNYNMCXLAJEXST-UHFFFAOYSA-N
MW408.43 g/mol
LogP5.94
Rot. Bonds2

About 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (PubChem CID 58240658) has the molecular formula C26H17FN2O2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.

Molecular Properties

Compound Name14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
PubChem CID58240658
Molecular FormulaC26H17FN2O2
Molecular Weight408.43 g/mol
Exact Mass408.13
IUPAC Name14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1cc2c3c4cccnc4oc(=O)c3n(Cc3ccc4ccccc4c3)c2cc1F
InChIInChI=1S/C26H17FN2O2/c1-15-11-20-22(13-21(15)27)29(14-16-8-9-17-5-2-3-6-18(17)12-16)24-23(20)19-7-4-10-28-25(19)31-26(24)30/h2-13H,14H2,1H3
InChIKeyRNYNMCXLAJEXST-UHFFFAOYSA-N
XLogP5.94
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The IUPAC name of 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (CID 58240658) is 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.
What is the SMILES notation for 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The canonical SMILES for 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3ccc4ccccc4c3)c2cc1F.
What is the InChIKey of 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The InChIKey is RNYNMCXLAJEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2O2/c1-15-11-20-22(13-21(15)27)29(14-16-8-9-17-5-2-3-6-18(17)12-16)24-23(20)19-7-4-10-28-25(19)31-26(24)30/h2-13H,14H2,1H3.
What are the key properties of 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one has a molecular weight of 408.43 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-15-methyl-11-(naphthalen-2-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is sourced from PubChem (CID 58240658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).