4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde

C16H19N3O3 — CID 6504186

IUPAC4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(NCCN2CCOCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H19N3O3/c20-11-13-15(17-5-6-19-7-9-22-10-8-19)12-3-1-2-4-14(12)18-16(13)21/h1-4,11H,5-10H2,(H2,17,18,21)
InChIKeyKDQLTYOPZJTGMV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.08
Rot. Bonds5

About 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde

4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 6504186) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID6504186
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(NCCN2CCOCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H19N3O3/c20-11-13-15(17-5-6-19-7-9-22-10-8-19)12-3-1-2-4-14(12)18-16(13)21/h1-4,11H,5-10H2,(H2,17,18,21)
InChIKeyKDQLTYOPZJTGMV-UHFFFAOYSA-N
XLogP1.08
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde (CID 6504186) is 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde is O=Cc1c(NCCN2CCOCC2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is KDQLTYOPZJTGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-11-13-15(17-5-6-19-7-9-22-10-8-19)12-3-1-2-4-14(12)18-16(13)21/h1-4,11H,5-10H2,(H2,17,18,21).
What are the key properties of 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde?
4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 301.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylamino)-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 6504186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).