(2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene

C20H18N2O5 — CID 102035920

IUPAC(2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene
SMILESCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2c2nc(-c3ccco3)ncc21
InChIInChI=1S/C20H18N2O5/c1-23-20-13-10-21-18(14-8-5-9-24-14)22-16(13)17-15(26-20)11-25-19(27-17)12-6-3-2-4-7-12/h2-10,15,17,19-20H,11H2,1H3/t15-,17-,19-,20+/m1/s1
InChIKeyGFBWFCFLBGHLPW-QOJCHSLYSA-N
MW366.37 g/mol
LogP3.57
Rot. Bonds3

About (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene

(2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene (PubChem CID 102035920) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene.

Molecular Properties

Compound Name(2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene
PubChem CID102035920
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene
SMILESCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2c2nc(-c3ccco3)ncc21
InChIInChI=1S/C20H18N2O5/c1-23-20-13-10-21-18(14-8-5-9-24-14)22-16(13)17-15(26-20)11-25-19(27-17)12-6-3-2-4-7-12/h2-10,15,17,19-20H,11H2,1H3/t15-,17-,19-,20+/m1/s1
InChIKeyGFBWFCFLBGHLPW-QOJCHSLYSA-N
XLogP3.57
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene?
The IUPAC name of (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene (CID 102035920) is (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene.
What is the SMILES notation for (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene?
The canonical SMILES for (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene is CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2c2nc(-c3ccco3)ncc21.
What is the InChIKey of (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene?
The InChIKey is GFBWFCFLBGHLPW-QOJCHSLYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-23-20-13-10-21-18(14-8-5-9-24-14)22-16(13)17-15(26-20)11-25-19(27-17)12-6-3-2-4-7-12/h2-10,15,17,19-20H,11H2,1H3/t15-,17-,19-,20+/m1/s1.
What are the key properties of (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene?
(2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene has a molecular weight of 366.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene is sourced from PubChem (CID 102035920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).