(4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone

C23H24N2O4 — CID 15030131

IUPAC(4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn3c4c(cccc24)OCC3CN2CCOCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-18-7-5-16(6-8-18)23(26)20-14-25-17(13-24-9-11-28-12-10-24)15-29-21-4-2-3-19(20)22(21)25/h2-8,14,17H,9-13,15H2,1H3
InChIKeyNRPZTPOZPJNMNT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.15
Rot. Bonds5

About (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone

(4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone (PubChem CID 15030131) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
PubChem CID15030131
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn3c4c(cccc24)OCC3CN2CCOCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-18-7-5-16(6-8-18)23(26)20-14-25-17(13-24-9-11-28-12-10-24)15-29-21-4-2-3-19(20)22(21)25/h2-8,14,17H,9-13,15H2,1H3
InChIKeyNRPZTPOZPJNMNT-UHFFFAOYSA-N
XLogP3.15
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone (CID 15030131) is (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone is COc1ccc(C(=O)c2cn3c4c(cccc24)OCC3CN2CCOCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
The InChIKey is NRPZTPOZPJNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-18-7-5-16(6-8-18)23(26)20-14-25-17(13-24-9-11-28-12-10-24)15-29-21-4-2-3-19(20)22(21)25/h2-8,14,17H,9-13,15H2,1H3.
What are the key properties of (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
(4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone is sourced from PubChem (CID 15030131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).