1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone

C19H18FN3O2 — CID 67253494

IUPAC1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone
SMILESCOc1ccc2[nH]c3c(c2n1)CCN(C(C)=O)C3c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c1-11(24)23-9-8-14-17-15(6-7-16(22-17)25-2)21-18(14)19(23)12-4-3-5-13(20)10-12/h3-7,10,19,21H,8-9H2,1-2H3
InChIKeyOGIJCVNQTIQWBD-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.20
Rot. Bonds2

About 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone

1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone (PubChem CID 67253494) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone.

Molecular Properties

Compound Name1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone
PubChem CID67253494
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone
SMILESCOc1ccc2[nH]c3c(c2n1)CCN(C(C)=O)C3c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c1-11(24)23-9-8-14-17-15(6-7-16(22-17)25-2)21-18(14)19(23)12-4-3-5-13(20)10-12/h3-7,10,19,21H,8-9H2,1-2H3
InChIKeyOGIJCVNQTIQWBD-UHFFFAOYSA-N
XLogP3.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone with MolForge

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Related Compounds

1-[10-(3-fluorophenyl)-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]ethanone
CID 66871810
tert-butyl 10-(3-fluorophenyl)-4-methyl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-11-carboxylate
CID 58403948
1-[10-(3-fluorophenyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone
CID 23113577
N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-11-carboxamide
CID 11690162
1-[(1S)-1-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 672629
1-[6-chloro-1-(3-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 59597068
1-[1-(3-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 541056
3-amino-1-[1-(3-fluorophenyl)-6-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 59597096
N-(3-fluorophenyl)-1-(4-fluorophenyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50744377
1-[7-fluoro-1-(3-fluorophenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
CID 11638897
[(1R)-1-(3-ethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone
CID 92730547
methyl 1-(3-trimethylsilylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 23113736

Frequently Asked Questions

What is the IUPAC name of 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone?
The IUPAC name of 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone (CID 67253494) is 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone.
What is the SMILES notation for 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone?
The canonical SMILES for 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone is COc1ccc2[nH]c3c(c2n1)CCN(C(C)=O)C3c1cccc(F)c1.
What is the InChIKey of 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone?
The InChIKey is OGIJCVNQTIQWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-11(24)23-9-8-14-17-15(6-7-16(22-17)25-2)21-18(14)19(23)12-4-3-5-13(20)10-12/h3-7,10,19,21H,8-9H2,1-2H3.
What are the key properties of 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone?
1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone has a molecular weight of 339.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(3-fluorophenyl)-4-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl]ethanone is sourced from PubChem (CID 67253494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).