11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 25217036

IUPAC11-[(2-fluorophenyl)methyl]-14-methoxy-15-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
SMILESCOc1cc2c(cc1C)c1c3cccnc3oc(=O)c1n2Cc1ccccc1F
InChIInChI=1S/C23H17FN2O3/c1-13-10-16-18(11-19(13)28-2)26(12-14-6-3-4-8-17(14)24)21-20(16)15-7-5-9-25-22(15)29-23(21)27/h3-11H,12H2,1-2H3
InChIKeyWWVHUNBHYNLTEK-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.80
Rot. Bonds3

About 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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

11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 25217036) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 Name11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 CID25217036
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name11-[(2-fluorophenyl)methyl]-14-methoxy-15-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
SMILESCOc1cc2c(cc1C)c1c3cccnc3oc(=O)c1n2Cc1ccccc1F
InChIInChI=1S/C23H17FN2O3/c1-13-10-16-18(11-19(13)28-2)26(12-14-6-3-4-8-17(14)24)21-20(16)15-7-5-9-25-22(15)29-23(21)27/h3-11H,12H2,1-2H3
InChIKeyWWVHUNBHYNLTEK-UHFFFAOYSA-N
XLogP4.80
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 25217036) is 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 COc1cc2c(cc1C)c1c3cccnc3oc(=O)c1n2Cc1ccccc1F.
What is the InChIKey of 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 WWVHUNBHYNLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-13-10-16-18(11-19(13)28-2)26(12-14-6-3-4-8-17(14)24)21-20(16)15-7-5-9-25-22(15)29-23(21)27/h3-11H,12H2,1-2H3.
What are the key properties of 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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?
11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-fluorophenyl)methyl]-14-methoxy-15-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 25217036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).