[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate

C24H26N4O3 — CID 24984211

IUPAC[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate
SMILESCCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)C5CC5)cc4c(=O)c1c23
InChIInChI=1S/C24H26N4O3/c1-3-27(4-2)12-11-25-18-8-9-19-22-21(18)23(29)17-13-16(31-24(30)15-5-6-15)7-10-20(17)28(22)14-26-19/h7-10,13-15,25H,3-6,11-12H2,1-2H3
InChIKeyIUNMZFXGDPJWFF-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.51
Rot. Bonds8

About [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate

[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate (PubChem CID 24984211) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate
PubChem CID24984211
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate
SMILESCCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)C5CC5)cc4c(=O)c1c23
InChIInChI=1S/C24H26N4O3/c1-3-27(4-2)12-11-25-18-8-9-19-22-21(18)23(29)17-13-16(31-24(30)15-5-6-15)7-10-20(17)28(22)14-26-19/h7-10,13-15,25H,3-6,11-12H2,1-2H3
InChIKeyIUNMZFXGDPJWFF-UHFFFAOYSA-N
XLogP3.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate?
The IUPAC name of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate (CID 24984211) is [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate.
What is the SMILES notation for [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate?
The canonical SMILES for [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate is CCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)C5CC5)cc4c(=O)c1c23.
What is the InChIKey of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate?
The InChIKey is IUNMZFXGDPJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-27(4-2)12-11-25-18-8-9-19-22-21(18)23(29)17-13-16(31-24(30)15-5-6-15)7-10-20(17)28(22)14-26-19/h7-10,13-15,25H,3-6,11-12H2,1-2H3.
What are the key properties of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate?
[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate has a molecular weight of 418.50 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] cyclopropanecarboxylate is sourced from PubChem (CID 24984211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).