(12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene

C15H20N2O — CID 23518413

IUPAC(12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene
SMILESCN1C[C@H]2CN3CCCOc4cccc(c43)[C@H]2C1
InChIInChI=1S/C15H20N2O/c1-16-8-11-9-17-6-3-7-18-14-5-2-4-12(15(14)17)13(11)10-16/h2,4-5,11,13H,3,6-10H2,1H3/t11-,13-/m0/s1
InChIKeyCXQBIVVBEYYDMF-AAEUAGOBSA-N
MW244.34 g/mol
LogP1.93
Rot. Bonds

About (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene

(12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene (PubChem CID 23518413) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene.

Molecular Properties

Compound Name(12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene
PubChem CID23518413
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene
SMILESCN1C[C@H]2CN3CCCOc4cccc(c43)[C@H]2C1
InChIInChI=1S/C15H20N2O/c1-16-8-11-9-17-6-3-7-18-14-5-2-4-12(15(14)17)13(11)10-16/h2,4-5,11,13H,3,6-10H2,1H3/t11-,13-/m0/s1
InChIKeyCXQBIVVBEYYDMF-AAEUAGOBSA-N
XLogP1.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene?
The IUPAC name of (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene (CID 23518413) is (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene.
What is the SMILES notation for (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene?
The canonical SMILES for (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene is CN1C[C@H]2CN3CCCOc4cccc(c43)[C@H]2C1.
What is the InChIKey of (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene?
The InChIKey is CXQBIVVBEYYDMF-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-8-11-9-17-6-3-7-18-14-5-2-4-12(15(14)17)13(11)10-16/h2,4-5,11,13H,3,6-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene?
(12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene has a molecular weight of 244.34 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12S,16S)-14-methyl-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4-triene is sourced from PubChem (CID 23518413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).