5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde

C24H22N2O4 — CID 138706292

IUPAC5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde
SMILESCN(C)c1ccc2oc(=O)c3cc(C=O)ccc3c3ccc(N(C)C)cc3oc2c1
InChIInChI=1S/C24H22N2O4/c1-25(2)16-6-9-19-18-8-5-15(14-27)11-20(18)24(28)30-21-10-7-17(26(3)4)13-23(21)29-22(19)12-16/h5-14H,1-4H3
InChIKeyCCPUQVLXDXOZHA-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.76
Rot. Bonds3

About 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde

5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde (PubChem CID 138706292) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde.

Molecular Properties

Compound Name5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde
PubChem CID138706292
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde
SMILESCN(C)c1ccc2oc(=O)c3cc(C=O)ccc3c3ccc(N(C)C)cc3oc2c1
InChIInChI=1S/C24H22N2O4/c1-25(2)16-6-9-19-18-8-5-15(14-27)11-20(18)24(28)30-21-10-7-17(26(3)4)13-23(21)29-22(19)12-16/h5-14H,1-4H3
InChIKeyCCPUQVLXDXOZHA-UHFFFAOYSA-N
XLogP4.76
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde?
The IUPAC name of 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde (CID 138706292) is 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde.
What is the SMILES notation for 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde?
The canonical SMILES for 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde is CN(C)c1ccc2oc(=O)c3cc(C=O)ccc3c3ccc(N(C)C)cc3oc2c1.
What is the InChIKey of 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde?
The InChIKey is CCPUQVLXDXOZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-25(2)16-6-9-19-18-8-5-15(14-27)11-20(18)24(28)30-21-10-7-17(26(3)4)13-23(21)29-22(19)12-16/h5-14H,1-4H3.
What are the key properties of 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde?
5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde has a molecular weight of 402.45 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde is sourced from PubChem (CID 138706292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).