15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene

C20H17ClFN3O — CID 13060586

IUPAC15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene
SMILESCc1ncc2n1-c1ccc(Cl)cc1C1(c3ccccc3F)OCCN1C2
InChIInChI=1S/C20H17ClFN3O/c1-13-23-11-15-12-24-8-9-26-20(24,16-4-2-3-5-18(16)22)17-10-14(21)6-7-19(17)25(13)15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyFUALBSBISYLGNO-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.02
Rot. Bonds1

About 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene

15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene (PubChem CID 13060586) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene.

Molecular Properties

Compound Name15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene
PubChem CID13060586
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene
SMILESCc1ncc2n1-c1ccc(Cl)cc1C1(c3ccccc3F)OCCN1C2
InChIInChI=1S/C20H17ClFN3O/c1-13-23-11-15-12-24-8-9-26-20(24,16-4-2-3-5-18(16)22)17-10-14(21)6-7-19(17)25(13)15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyFUALBSBISYLGNO-UHFFFAOYSA-N
XLogP4.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene?
The IUPAC name of 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene (CID 13060586) is 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene.
What is the SMILES notation for 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene?
The canonical SMILES for 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene is Cc1ncc2n1-c1ccc(Cl)cc1C1(c3ccccc3F)OCCN1C2.
What is the InChIKey of 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene?
The InChIKey is FUALBSBISYLGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13-23-11-15-12-24-8-9-26-20(24,16-4-2-3-5-18(16)22)17-10-14(21)6-7-19(17)25(13)15/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene?
15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene has a molecular weight of 369.83 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-12-(2-fluorophenyl)-3-methyl-11-oxa-2,4,8-triazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene is sourced from PubChem (CID 13060586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).