5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

C18H25FN6O — CID 137418535

IUPAC5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCc1c2c(nn1C1CCCCC1)OCC(F)C(C)Nc1ccnc(n1)N2
InChIInChI=1S/C18H25FN6O/c1-11-14(19)10-26-17-16(23-18-20-9-8-15(21-11)22-18)12(2)25(24-17)13-6-4-3-5-7-13/h8-9,11,13-14H,3-7,10H2,1-2H3,(H2,20,21,22,23)
InChIKeyDQRADIOHXLFUIC-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.76
Rot. Bonds1

About 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (PubChem CID 137418535) has the molecular formula C18H25FN6O and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.

Molecular Properties

Compound Name5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
PubChem CID137418535
Molecular FormulaC18H25FN6O
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC Name5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCc1c2c(nn1C1CCCCC1)OCC(F)C(C)Nc1ccnc(n1)N2
InChIInChI=1S/C18H25FN6O/c1-11-14(19)10-26-17-16(23-18-20-9-8-15(21-11)22-18)12(2)25(24-17)13-6-4-3-5-7-13/h8-9,11,13-14H,3-7,10H2,1-2H3,(H2,20,21,22,23)
InChIKeyDQRADIOHXLFUIC-UHFFFAOYSA-N
XLogP3.76
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The IUPAC name of 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (CID 137418535) is 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.
What is the SMILES notation for 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The canonical SMILES for 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is Cc1c2c(nn1C1CCCCC1)OCC(F)C(C)Nc1ccnc(n1)N2.
What is the InChIKey of 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The InChIKey is DQRADIOHXLFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O/c1-11-14(19)10-26-17-16(23-18-20-9-8-15(21-11)22-18)12(2)25(24-17)13-6-4-3-5-7-13/h8-9,11,13-14H,3-7,10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene has a molecular weight of 360.44 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is sourced from PubChem (CID 137418535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).