11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene

C15H20ClN3O2 — CID 88579788

IUPAC11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene
SMILESCN1c2c(cc(Cl)nc2N2CCOCC2)C2(C)CCOC12
InChIInChI=1S/C15H20ClN3O2/c1-15-3-6-21-14(15)18(2)12-10(15)9-11(16)17-13(12)19-4-7-20-8-5-19/h9,14H,3-8H2,1-2H3
InChIKeyVCPRTKWOVGRONC-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.03
Rot. Bonds1

About 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene

11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene (PubChem CID 88579788) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene.

Molecular Properties

Compound Name11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene
PubChem CID88579788
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene
SMILESCN1c2c(cc(Cl)nc2N2CCOCC2)C2(C)CCOC12
InChIInChI=1S/C15H20ClN3O2/c1-15-3-6-21-14(15)18(2)12-10(15)9-11(16)17-13(12)19-4-7-20-8-5-19/h9,14H,3-8H2,1-2H3
InChIKeyVCPRTKWOVGRONC-UHFFFAOYSA-N
XLogP2.03
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
The IUPAC name of 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene (CID 88579788) is 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene.
What is the SMILES notation for 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
The canonical SMILES for 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene is CN1c2c(cc(Cl)nc2N2CCOCC2)C2(C)CCOC12.
What is the InChIKey of 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
The InChIKey is VCPRTKWOVGRONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-15-3-6-21-14(15)18(2)12-10(15)9-11(16)17-13(12)19-4-7-20-8-5-19/h9,14H,3-8H2,1-2H3.
What are the key properties of 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene has a molecular weight of 309.80 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene is sourced from PubChem (CID 88579788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).