7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene

C19H17ClN2O — CID 22735899

IUPAC7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene
SMILESClc1ccccc1-c1cc2c3c(c1)C1C=NCCC1N3CCO2
InChIInChI=1S/C19H17ClN2O/c20-16-4-2-1-3-13(16)12-9-14-15-11-21-6-5-17(15)22-7-8-23-18(10-12)19(14)22/h1-4,9-11,15,17H,5-8H2
InChIKeyXOEVPAIOJMLOSV-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.15
Rot. Bonds1

About 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene

7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene (PubChem CID 22735899) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene.

Molecular Properties

Compound Name7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene
PubChem CID22735899
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene
SMILESClc1ccccc1-c1cc2c3c(c1)C1C=NCCC1N3CCO2
InChIInChI=1S/C19H17ClN2O/c20-16-4-2-1-3-13(16)12-9-14-15-11-21-6-5-17(15)22-7-8-23-18(10-12)19(14)22/h1-4,9-11,15,17H,5-8H2
InChIKeyXOEVPAIOJMLOSV-UHFFFAOYSA-N
XLogP4.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene?
The IUPAC name of 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene (CID 22735899) is 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene.
What is the SMILES notation for 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene?
The canonical SMILES for 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene is Clc1ccccc1-c1cc2c3c(c1)C1C=NCCC1N3CCO2.
What is the InChIKey of 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene?
The InChIKey is XOEVPAIOJMLOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-16-4-2-1-3-13(16)12-9-14-15-11-21-6-5-17(15)22-7-8-23-18(10-12)19(14)22/h1-4,9-11,15,17H,5-8H2.
What are the key properties of 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene?
7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene has a molecular weight of 324.81 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene is sourced from PubChem (CID 22735899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).