15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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

C23H17FN2O3 — CID 25217037

IUPAC15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cccc(O)c1F
InChIInChI=1S/C23H17FN2O3/c1-2-13-8-9-17-16(11-13)19-15-6-4-10-25-22(15)29-23(28)21(19)26(17)12-14-5-3-7-18(27)20(14)24/h3-11,27H,2,12H2,1H3
InChIKeyMWNYIUVAMFXYKN-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.75
Rot. Bonds3

About 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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

15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 25217037) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 Name15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 CID25217037
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cccc(O)c1F
InChIInChI=1S/C23H17FN2O3/c1-2-13-8-9-17-16(11-13)19-15-6-4-10-25-22(15)29-23(28)21(19)26(17)12-14-5-3-7-18(27)20(14)24/h3-11,27H,2,12H2,1H3
InChIKeyMWNYIUVAMFXYKN-UHFFFAOYSA-N
XLogP4.75
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 25217037) is 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 CCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cccc(O)c1F.
What is the InChIKey of 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 MWNYIUVAMFXYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-2-13-8-9-17-16(11-13)19-15-6-4-10-25-22(15)29-23(28)21(19)26(17)12-14-5-3-7-18(27)20(14)24/h3-11,27H,2,12H2,1H3.
What are the key properties of 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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?
15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 388.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-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 25217037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).