4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one

C14H15FN2O — CID 102894941

IUPAC4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one
SMILESO=C1Nc2ccc(F)cc2N2CC3CCCC3C12
InChIInChI=1S/C14H15FN2O/c15-9-4-5-11-12(6-9)17-7-8-2-1-3-10(8)13(17)14(18)16-11/h4-6,8,10,13H,1-3,7H2,(H,16,18)
InChIKeyTXDRIIXQGUWIIA-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.38
Rot. Bonds

About 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one

4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one (PubChem CID 102894941) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one.

Molecular Properties

Compound Name4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one
PubChem CID102894941
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one
SMILESO=C1Nc2ccc(F)cc2N2CC3CCCC3C12
InChIInChI=1S/C14H15FN2O/c15-9-4-5-11-12(6-9)17-7-8-2-1-3-10(8)13(17)14(18)16-11/h4-6,8,10,13H,1-3,7H2,(H,16,18)
InChIKeyTXDRIIXQGUWIIA-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one with MolForge

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Related Compounds

6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
CID 114041955
3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
CID 102894958
6-methylsulfonyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one
CID 102894933
3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorobenzaldehyde
CID 115560388
3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
4-ethyl-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79296211
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
CID 106986875
2-[1-(2,4-difluorophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895982
6-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571897

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one?
The IUPAC name of 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one (CID 102894941) is 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one.
What is the SMILES notation for 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one?
The canonical SMILES for 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one is O=C1Nc2ccc(F)cc2N2CC3CCCC3C12.
What is the InChIKey of 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one?
The InChIKey is TXDRIIXQGUWIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-9-4-5-11-12(6-9)17-7-8-2-1-3-10(8)13(17)14(18)16-11/h4-6,8,10,13H,1-3,7H2,(H,16,18).
What are the key properties of 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one?
4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one has a molecular weight of 246.28 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one is sourced from PubChem (CID 102894941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).