4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine

C15H15N7O2 — CID 57391696

IUPAC4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine
SMILESCn1ncc2nc(N3CCOCC3)n3nc(-c4ccco4)nc3c21
InChIInChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyIBTVWJBTRQGRMW-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.11
Rot. Bonds2

About 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine

4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine (PubChem CID 57391696) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine.

Molecular Properties

Compound Name4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine
PubChem CID57391696
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine
SMILESCn1ncc2nc(N3CCOCC3)n3nc(-c4ccco4)nc3c21
InChIInChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyIBTVWJBTRQGRMW-UHFFFAOYSA-N
XLogP1.11
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine?
The IUPAC name of 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine (CID 57391696) is 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine.
What is the SMILES notation for 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine?
The canonical SMILES for 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine is Cn1ncc2nc(N3CCOCC3)n3nc(-c4ccco4)nc3c21.
What is the InChIKey of 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine?
The InChIKey is IBTVWJBTRQGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine?
4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine has a molecular weight of 325.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[11-(furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine is sourced from PubChem (CID 57391696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).