4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C19H17N5O3 — CID 57334123

IUPAC4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3oc4nnccc4c3n2)c1
InChIInChI=1S/C19H17N5O3/c1-25-13-4-2-3-12(11-13)17-21-15-14-5-6-20-23-19(14)27-16(15)18(22-17)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3
InChIKeyWANYUOIEMJMVBE-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.68
Rot. Bonds3

About 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 57334123) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID57334123
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3oc4nnccc4c3n2)c1
InChIInChI=1S/C19H17N5O3/c1-25-13-4-2-3-12(11-13)17-21-15-14-5-6-20-23-19(14)27-16(15)18(22-17)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3
InChIKeyWANYUOIEMJMVBE-UHFFFAOYSA-N
XLogP2.68
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 57334123) is 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is COc1cccc(-c2nc(N3CCOCC3)c3oc4nnccc4c3n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is WANYUOIEMJMVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-25-13-4-2-3-12(11-13)17-21-15-14-5-6-20-23-19(14)27-16(15)18(22-17)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 363.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 57334123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).