14-methoxy-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

C23H23N3O4 — CID 57326226

IUPAC14-methoxy-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
SMILESCOc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C23H23N3O4/c1-29-15-13-18-20(24-14-15)21-19(22(18)27)16-5-2-3-6-17(16)23(28)26(21)8-4-7-25-9-11-30-12-10-25/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyXYWUSKYSNPYMBB-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.34
Rot. Bonds5

About 14-methoxy-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

14-methoxy-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 57326226) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 14-methoxy-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 Name14-methoxy-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 CID57326226
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name14-methoxy-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
SMILESCOc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C23H23N3O4/c1-29-15-13-18-20(24-14-15)21-19(22(18)27)16-5-2-3-6-17(16)23(28)26(21)8-4-7-25-9-11-30-12-10-25/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyXYWUSKYSNPYMBB-UHFFFAOYSA-N
XLogP2.34
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-methoxy-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 14-methoxy-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 14-methoxy-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 57326226) is 14-methoxy-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 14-methoxy-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 14-methoxy-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 COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2ccccc12.
What is the InChIKey of 14-methoxy-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 XYWUSKYSNPYMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-15-13-18-20(24-14-15)21-19(22(18)27)16-5-2-3-6-17(16)23(28)26(21)8-4-7-25-9-11-30-12-10-25/h2-3,5-6,13-14H,4,7-12H2,1H3.
What are the key properties of 14-methoxy-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?
14-methoxy-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 405.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-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 57326226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).