13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one

C25H32N4O5 — CID 110070745

IUPAC13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
SMILESCC1CN(C(=O)CN2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)CC(C)O1
InChIInChI=1S/C25H32N4O5/c1-18-15-29(16-19(2)33-18)23(30)17-28-12-11-27(3)25(31)20-7-6-10-26-24(20)34-22-9-5-4-8-21(22)32-14-13-28/h4-10,18-19H,11-17H2,1-3H3
InChIKeyBRCJQYCXROIVGX-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.28
Rot. Bonds2

About 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one

13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one (PubChem CID 110070745) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one.

Molecular Properties

Compound Name13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
PubChem CID110070745
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
SMILESCC1CN(C(=O)CN2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)CC(C)O1
InChIInChI=1S/C25H32N4O5/c1-18-15-29(16-19(2)33-18)23(30)17-28-12-11-27(3)25(31)20-7-6-10-26-24(20)34-22-9-5-4-8-21(22)32-14-13-28/h4-10,18-19H,11-17H2,1-3H3
InChIKeyBRCJQYCXROIVGX-UHFFFAOYSA-N
XLogP2.28
TPSA84.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110070732
13-[2-(2-benzylpiperidin-1-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110070752
10-methyl-13-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110075599
10-methyl-13-(quinolin-3-ylmethyl)-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110075142
13-[3-(2-methoxy-N-methylanilino)propanoyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110065756
13-(4-ethylthiadiazole-5-carbonyl)-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110065748
13-[(1-cyclopentylindol-3-yl)methyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110066663
13-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110066639
13-[(2,4-dimethylphenyl)methyl]-10-ethyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110068098
10-ethyl-13-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110068104
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
10-ethyl-13-[(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110075753

Frequently Asked Questions

What is the IUPAC name of 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one?
The IUPAC name of 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one (CID 110070745) is 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one.
What is the SMILES notation for 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one?
The canonical SMILES for 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one is CC1CN(C(=O)CN2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)CC(C)O1.
What is the InChIKey of 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one?
The InChIKey is BRCJQYCXROIVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-18-15-29(16-19(2)33-18)23(30)17-28-12-11-27(3)25(31)20-7-6-10-26-24(20)34-22-9-5-4-8-21(22)32-14-13-28/h4-10,18-19H,11-17H2,1-3H3.
What are the key properties of 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one?
13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one has a molecular weight of 468.55 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-10-methyl-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one is sourced from PubChem (CID 110070745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).