1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one

C16H24N4O — CID 62567517

IUPAC1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one
SMILESCCN(CC)CCNCCn1ncc(=O)c2ccccc21
InChIInChI=1S/C16H24N4O/c1-3-19(4-2)11-9-17-10-12-20-15-8-6-5-7-14(15)16(21)13-18-20/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyHQJYQFQPHHKRIB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.33
Rot. Bonds8

About 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one

1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one (PubChem CID 62567517) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one
PubChem CID62567517
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one
SMILESCCN(CC)CCNCCn1ncc(=O)c2ccccc21
InChIInChI=1S/C16H24N4O/c1-3-19(4-2)11-9-17-10-12-20-15-8-6-5-7-14(15)16(21)13-18-20/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyHQJYQFQPHHKRIB-UHFFFAOYSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one?
The IUPAC name of 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one (CID 62567517) is 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one is CCN(CC)CCNCCn1ncc(=O)c2ccccc21.
What is the InChIKey of 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one?
The InChIKey is HQJYQFQPHHKRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-19(4-2)11-9-17-10-12-20-15-8-6-5-7-14(15)16(21)13-18-20/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one?
1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one has a molecular weight of 288.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one is sourced from PubChem (CID 62567517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).