10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

C17H10N2O — CID 139524855

IUPAC10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc2c(c1)[nH]c1cc3c(cc12)oc1cnccc13
InChIInChI=1S/C17H10N2O/c1-2-4-14-10(3-1)12-8-16-13(7-15(12)19-14)11-5-6-18-9-17(11)20-16/h1-9,19H
InChIKeySPJZQDBMZFXOEZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.62
Rot. Bonds

About 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (PubChem CID 139524855) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
PubChem CID139524855
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc2c(c1)[nH]c1cc3c(cc12)oc1cnccc13
InChIInChI=1S/C17H10N2O/c1-2-4-14-10(3-1)12-8-16-13(7-15(12)19-14)11-5-6-18-9-17(11)20-16/h1-9,19H
InChIKeySPJZQDBMZFXOEZ-UHFFFAOYSA-N
XLogP4.62
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

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CID 90140834
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Frequently Asked Questions

What is the IUPAC name of 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (CID 139524855) is 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is c1ccc2c(c1)[nH]c1cc3c(cc12)oc1cnccc13.
What is the InChIKey of 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The InChIKey is SPJZQDBMZFXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c1-2-4-14-10(3-1)12-8-16-13(7-15(12)19-14)11-5-6-18-9-17(11)20-16/h1-9,19H.
What are the key properties of 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene has a molecular weight of 258.28 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 139524855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).