7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene

C18H12N2O — CID 151521768

IUPAC7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene
SMILESC1=Cc2c(ccn3cc4c(ccc5cccnc54)c23)OC1
InChIInChI=1S/C18H12N2O/c1-3-12-5-6-13-15(17(12)19-8-1)11-20-9-7-16-14(18(13)20)4-2-10-21-16/h1-9,11H,10H2
InChIKeyPUQBNSOXIHVXPQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.05
Rot. Bonds

About 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene

7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene (PubChem CID 151521768) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene.

Molecular Properties

Compound Name7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene
PubChem CID151521768
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene
SMILESC1=Cc2c(ccn3cc4c(ccc5cccnc54)c23)OC1
InChIInChI=1S/C18H12N2O/c1-3-12-5-6-13-15(17(12)19-8-1)11-20-9-7-16-14(18(13)20)4-2-10-21-16/h1-9,11H,10H2
InChIKeyPUQBNSOXIHVXPQ-UHFFFAOYSA-N
XLogP4.05
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene?
The IUPAC name of 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene (CID 151521768) is 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene.
What is the SMILES notation for 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene?
The canonical SMILES for 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene is C1=Cc2c(ccn3cc4c(ccc5cccnc54)c23)OC1.
What is the InChIKey of 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene?
The InChIKey is PUQBNSOXIHVXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-3-12-5-6-13-15(17(12)19-8-1)11-20-9-7-16-14(18(13)20)4-2-10-21-16/h1-9,11H,10H2.
What are the key properties of 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene?
7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene has a molecular weight of 272.31 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-11,15-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1,3(8),4,9,12,14(19),15,17,20-nonaene is sourced from PubChem (CID 151521768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).