N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C23H19N3O4 — CID 124546534

IUPACN-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H19N3O4/c1-14(16-8-9-19-20(12-16)30-11-10-29-19)24-25-21(27)13-26-18-7-3-5-15-4-2-6-17(22(15)18)23(26)28/h2-9,12H,10-11,13H2,1H3,(H,25,27)/b24-14-
InChIKeyMQVQQEPTZZYEAI-OYKKKHCWSA-N
MW401.42 g/mol
LogP3.11
Rot. Bonds4

About N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 124546534) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID124546534
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H19N3O4/c1-14(16-8-9-19-20(12-16)30-11-10-29-19)24-25-21(27)13-26-18-7-3-5-15-4-2-6-17(22(15)18)23(26)28/h2-9,12H,10-11,13H2,1H3,(H,25,27)/b24-14-
InChIKeyMQVQQEPTZZYEAI-OYKKKHCWSA-N
XLogP3.11
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 124546534) is N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is C/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is MQVQQEPTZZYEAI-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-14(16-8-9-19-20(12-16)30-11-10-29-19)24-25-21(27)13-26-18-7-3-5-15-4-2-6-17(22(15)18)23(26)28/h2-9,12H,10-11,13H2,1H3,(H,25,27)/b24-14-.
What are the key properties of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 124546534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).