(3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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

C26H30N4O4 — CID 121370851

IUPAC(3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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(-c2cccn2C)nc(C(=O)N2CCOCC2(C)C)c1CC3
InChIInChI=1S/C26H30N4O4/c1-16-14-33-21-12-17-7-8-18-23(25(31)29-10-11-32-15-26(29,2)3)27-24(19-6-5-9-28(19)4)30(18)20(17)13-22(21)34-16/h5-6,9,12-13,16H,7-8,10-11,14-15H2,1-4H3
InChIKeyZMVUECLDCHVKMB-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.39
Rot. Bonds2

About (3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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-(1-methylpyrrol-2-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 121370851) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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-(1-methylpyrrol-2-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 CID121370851
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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(-c2cccn2C)nc(C(=O)N2CCOCC2(C)C)c1CC3
InChIInChI=1S/C26H30N4O4/c1-16-14-33-21-12-17-7-8-18-23(25(31)29-10-11-32-15-26(29,2)3)27-24(19-6-5-9-28(19)4)30(18)20(17)13-22(21)34-16/h5-6,9,12-13,16H,7-8,10-11,14-15H2,1-4H3
InChIKeyZMVUECLDCHVKMB-UHFFFAOYSA-N
XLogP3.39
TPSA70.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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-(1-methylpyrrol-2-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-(1-methylpyrrol-2-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 121370851) is (3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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-(1-methylpyrrol-2-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-(1-methylpyrrol-2-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(-c2cccn2C)nc(C(=O)N2CCOCC2(C)C)c1CC3.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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 ZMVUECLDCHVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-16-14-33-21-12-17-7-8-18-23(25(31)29-10-11-32-15-26(29,2)3)27-24(19-6-5-9-28(19)4)30(18)20(17)13-22(21)34-16/h5-6,9,12-13,16H,7-8,10-11,14-15H2,1-4H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[6-methyl-12-(1-methylpyrrol-2-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-(1-methylpyrrol-2-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 462.55 g/mol, XLogP of 3.39, 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-(1-methylpyrrol-2-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 121370851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).