4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

C24H25N3O5 — CID 53473935

IUPAC4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1ncccc1C3=O
InChIInChI=1S/C24H25N3O5/c1-30-18-13-16-17(14-19(18)31-2)24(29)27(8-4-7-26-9-11-32-12-10-26)22-20(16)23(28)15-5-3-6-25-21(15)22/h3,5-6,13-14H,4,7-12H2,1-2H3
InChIKeyUVLHNAIIWCQGFT-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.35
Rot. Bonds6

About 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (PubChem CID 53473935) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.

Molecular Properties

Compound Name4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
PubChem CID53473935
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1ncccc1C3=O
InChIInChI=1S/C24H25N3O5/c1-30-18-13-16-17(14-19(18)31-2)24(29)27(8-4-7-26-9-11-32-12-10-26)22-20(16)23(28)15-5-3-6-25-21(15)22/h3,5-6,13-14H,4,7-12H2,1-2H3
InChIKeyUVLHNAIIWCQGFT-UHFFFAOYSA-N
XLogP2.35
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The IUPAC name of 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (CID 53473935) is 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.
What is the SMILES notation for 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The canonical SMILES for 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1ncccc1C3=O.
What is the InChIKey of 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The InChIKey is UVLHNAIIWCQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-30-18-13-16-17(14-19(18)31-2)24(29)27(8-4-7-26-9-11-32-12-10-26)22-20(16)23(28)15-5-3-6-25-21(15)22/h3,5-6,13-14H,4,7-12H2,1-2H3.
What are the key properties of 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione has a molecular weight of 435.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is sourced from PubChem (CID 53473935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).