10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C19H19FN2O3 — CID 4622784

IUPAC10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCOc1cccc2c1OC1(C)CC2NC(=O)N1c1ccc(C)c(F)c1
InChIInChI=1S/C19H19FN2O3/c1-11-7-8-12(9-14(11)20)22-18(23)21-15-10-19(22,2)25-17-13(15)5-4-6-16(17)24-3/h4-9,15H,10H2,1-3H3,(H,21,23)
InChIKeyMBPWNTYWGKFPAA-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.91
Rot. Bonds2

About 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 4622784) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
PubChem CID4622784
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCOc1cccc2c1OC1(C)CC2NC(=O)N1c1ccc(C)c(F)c1
InChIInChI=1S/C19H19FN2O3/c1-11-7-8-12(9-14(11)20)22-18(23)21-15-10-19(22,2)25-17-13(15)5-4-6-16(17)24-3/h4-9,15H,10H2,1-3H3,(H,21,23)
InChIKeyMBPWNTYWGKFPAA-UHFFFAOYSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-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 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The IUPAC name of 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 4622784) is 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
What is the SMILES notation for 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The canonical SMILES for 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is COc1cccc2c1OC1(C)CC2NC(=O)N1c1ccc(C)c(F)c1.
What is the InChIKey of 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The InChIKey is MBPWNTYWGKFPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-11-7-8-12(9-14(11)20)22-18(23)21-15-10-19(22,2)25-17-13(15)5-4-6-16(17)24-3/h4-9,15H,10H2,1-3H3,(H,21,23).
What are the key properties of 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 342.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluoro-4-methylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 4622784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).