15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

C23H24N2O4 — CID 10091908

IUPAC15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCN(CCO)CCO
InChIInChI=1S/C23H24N2O4/c26-13-11-24(12-14-27)9-4-10-25-22(28)19-8-3-6-17-15-16-5-1-2-7-18(16)21(20(17)19)23(25)29/h1-3,5-8,15,26-27H,4,9-14H2
InChIKeyYFKHGHNMEQMXDR-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.27
Rot. Bonds8

About 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10091908) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10091908
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCN(CCO)CCO
InChIInChI=1S/C23H24N2O4/c26-13-11-24(12-14-27)9-4-10-25-22(28)19-8-3-6-17-15-16-5-1-2-7-18(16)21(20(17)19)23(25)29/h1-3,5-8,15,26-27H,4,9-14H2
InChIKeyYFKHGHNMEQMXDR-UHFFFAOYSA-N
XLogP2.27
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The IUPAC name of 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10091908) is 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCN(CCO)CCO.
What is the InChIKey of 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The InChIKey is YFKHGHNMEQMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-13-11-24(12-14-27)9-4-10-25-22(28)19-8-3-6-17-15-16-5-1-2-7-18(16)21(20(17)19)23(25)29/h1-3,5-8,15,26-27H,4,9-14H2.
What are the key properties of 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione has a molecular weight of 392.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-[bis(2-hydroxyethyl)amino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10091908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).