14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene

C17H19N5O — CID 90451143

IUPAC14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene
SMILESc1cc2cc(c1)-c1cnn3ccc(nc13)OCCNCCCN2
InChIInChI=1S/C17H19N5O/c1-3-13-11-14(4-1)19-7-2-6-18-8-10-23-16-5-9-22-17(21-16)15(13)12-20-22/h1,3-5,9,11-12,18-19H,2,6-8,10H2
InChIKeyXLOAXPNGXYHNMA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.18
Rot. Bonds

About 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene

14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene (PubChem CID 90451143) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene.

Molecular Properties

Compound Name14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene
PubChem CID90451143
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene
SMILESc1cc2cc(c1)-c1cnn3ccc(nc13)OCCNCCCN2
InChIInChI=1S/C17H19N5O/c1-3-13-11-14(4-1)19-7-2-6-18-8-10-23-16-5-9-22-17(21-16)15(13)12-20-22/h1,3-5,9,11-12,18-19H,2,6-8,10H2
InChIKeyXLOAXPNGXYHNMA-UHFFFAOYSA-N
XLogP2.18
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene?
The IUPAC name of 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene (CID 90451143) is 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene.
What is the SMILES notation for 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene?
The canonical SMILES for 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene is c1cc2cc(c1)-c1cnn3ccc(nc13)OCCNCCCN2.
What is the InChIKey of 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene?
The InChIKey is XLOAXPNGXYHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-13-11-14(4-1)19-7-2-6-18-8-10-23-16-5-9-22-17(21-16)15(13)12-20-22/h1,3-5,9,11-12,18-19H,2,6-8,10H2.
What are the key properties of 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene?
14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene has a molecular weight of 309.37 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-7,11,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaene is sourced from PubChem (CID 90451143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).