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

C26H24N2O3 — CID 15030132

IUPAC[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn2c3c(cccc13)OCC2CN1CCOCC1
InChIInChI=1S/C26H24N2O3/c29-26(22-9-3-6-18-5-1-2-7-20(18)22)23-16-28-19(15-27-11-13-30-14-12-27)17-31-24-10-4-8-21(23)25(24)28/h1-10,16,19H,11-15,17H2
InChIKeyLNTMHDCIQZUWLN-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.29
Rot. Bonds4

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

[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone (PubChem CID 15030132) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
PubChem CID15030132
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn2c3c(cccc13)OCC2CN1CCOCC1
InChIInChI=1S/C26H24N2O3/c29-26(22-9-3-6-18-5-1-2-7-20(18)22)23-16-28-19(15-27-11-13-30-14-12-27)17-31-24-10-4-8-21(23)25(24)28/h1-10,16,19H,11-15,17H2
InChIKeyLNTMHDCIQZUWLN-UHFFFAOYSA-N
XLogP4.29
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone (CID 15030132) is [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1cn2c3c(cccc13)OCC2CN1CCOCC1.
What is the InChIKey of [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is LNTMHDCIQZUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-26(22-9-3-6-18-5-1-2-7-20(18)22)23-16-28-19(15-27-11-13-30-14-12-27)17-31-24-10-4-8-21(23)25(24)28/h1-10,16,19H,11-15,17H2.
What are the key properties of [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone?
[11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 412.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 15030132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).