(3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone

C26H28N4O4 — CID 121370853

IUPAC(3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone
SMILESCC1COc2cc3c(cc2O1)-n1c(-c2cccnc2)nc(C(=O)N2CCOCC2(C)C)c1CC3
InChIInChI=1S/C26H28N4O4/c1-16-14-33-21-11-17-6-7-19-23(25(31)29-9-10-32-15-26(29,2)3)28-24(18-5-4-8-27-13-18)30(19)20(17)12-22(21)34-16/h4-5,8,11-13,16H,6-7,9-10,14-15H2,1-3H3
InChIKeyNOXAIMAIVNGPSI-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.44
Rot. Bonds2

About (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone

(3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone (PubChem CID 121370853) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone
PubChem CID121370853
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name(3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone
SMILESCC1COc2cc3c(cc2O1)-n1c(-c2cccnc2)nc(C(=O)N2CCOCC2(C)C)c1CC3
InChIInChI=1S/C26H28N4O4/c1-16-14-33-21-11-17-6-7-19-23(25(31)29-9-10-32-15-26(29,2)3)28-24(18-5-4-8-27-13-18)30(19)20(17)12-22(21)34-16/h4-5,8,11-13,16H,6-7,9-10,14-15H2,1-3H3
InChIKeyNOXAIMAIVNGPSI-UHFFFAOYSA-N
XLogP3.44
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone (CID 121370853) is (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone is CC1COc2cc3c(cc2O1)-n1c(-c2cccnc2)nc(C(=O)N2CCOCC2(C)C)c1CC3.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone?
The InChIKey is NOXAIMAIVNGPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-14-33-21-11-17-6-7-19-23(25(31)29-9-10-32-15-26(29,2)3)28-24(18-5-4-8-27-13-18)30(19)20(17)12-22(21)34-16/h4-5,8,11-13,16H,6-7,9-10,14-15H2,1-3H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone?
(3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone has a molecular weight of 460.53 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-(6-methyl-12-pyridin-3-yl-4,7-dioxa-11,13-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14-pentaen-14-yl)methanone is sourced from PubChem (CID 121370853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).