11-[(3-fluoro-2-methylphenyl)methyl]-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

C23H17FN2O2 — CID 58132314

IUPAC11-[(3-fluoro-2-methylphenyl)methyl]-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
SMILESCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cccc(F)c1C
InChIInChI=1S/C23H17FN2O2/c1-13-8-9-19-17(11-13)20-16-6-4-10-25-22(16)28-23(27)21(20)26(19)12-15-5-3-7-18(24)14(15)2/h3-11H,12H2,1-2H3
InChIKeyMHQXFEYNMUYZNR-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.10
Rot. Bonds2

About 11-[(3-fluoro-2-methylphenyl)methyl]-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-[(3-fluoro-2-methylphenyl)methyl]-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 58132314) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 11-[(3-fluoro-2-methylphenyl)methyl]-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-[(3-fluoro-2-methylphenyl)methyl]-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 CID58132314
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name11-[(3-fluoro-2-methylphenyl)methyl]-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
SMILESCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cccc(F)c1C
InChIInChI=1S/C23H17FN2O2/c1-13-8-9-19-17(11-13)20-16-6-4-10-25-22(16)28-23(27)21(20)26(19)12-15-5-3-7-18(24)14(15)2/h3-11H,12H2,1-2H3
InChIKeyMHQXFEYNMUYZNR-UHFFFAOYSA-N
XLogP5.10
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[(3-fluoro-2-methylphenyl)methyl]-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-[(3-fluoro-2-methylphenyl)methyl]-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-[(3-fluoro-2-methylphenyl)methyl]-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 58132314) is 11-[(3-fluoro-2-methylphenyl)methyl]-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-[(3-fluoro-2-methylphenyl)methyl]-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-[(3-fluoro-2-methylphenyl)methyl]-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 Cc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cccc(F)c1C.
What is the InChIKey of 11-[(3-fluoro-2-methylphenyl)methyl]-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 MHQXFEYNMUYZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c1-13-8-9-19-17(11-13)20-16-6-4-10-25-22(16)28-23(27)21(20)26(19)12-15-5-3-7-18(24)14(15)2/h3-11H,12H2,1-2H3.
What are the key properties of 11-[(3-fluoro-2-methylphenyl)methyl]-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-[(3-fluoro-2-methylphenyl)methyl]-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 372.40 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3-fluoro-2-methylphenyl)methyl]-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 58132314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).