6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C19H17F3N2O3 — CID 15992964

IUPAC6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-18-10-14(13-7-4-8-15(26-2)16(13)27-18)23-17(25)24(18)12-6-3-5-11(9-12)19(20,21)22/h3-9,14H,10H2,1-2H3,(H,23,25)
InChIKeyBSDTZZYHKUAACW-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.48
Rot. Bonds2

About 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 15992964) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
PubChem CID15992964
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-18-10-14(13-7-4-8-15(26-2)16(13)27-18)23-17(25)24(18)12-6-3-5-11(9-12)19(20,21)22/h3-9,14H,10H2,1-2H3,(H,23,25)
InChIKeyBSDTZZYHKUAACW-UHFFFAOYSA-N
XLogP4.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The IUPAC name of 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 15992964) is 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
What is the SMILES notation for 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The canonical SMILES for 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The InChIKey is BSDTZZYHKUAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-18-10-14(13-7-4-8-15(26-2)16(13)27-18)23-17(25)24(18)12-6-3-5-11(9-12)19(20,21)22/h3-9,14H,10H2,1-2H3,(H,23,25).
What are the key properties of 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 378.35 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methyl-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 15992964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).