4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide

C17H19N3O2 — CID 174685661

IUPAC4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide
SMILESNC(=O)C(=CCN1CCOCC1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N3O2/c18-17(21)15(5-7-20-8-10-22-11-9-20)13-3-4-16-14(12-13)2-1-6-19-16/h1-6,12H,7-11H2,(H2,18,21)
InChIKeyJZOWZLAJYSRBNM-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.44
Rot. Bonds4

About 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide

4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide (PubChem CID 174685661) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide.

Molecular Properties

Compound Name4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide
PubChem CID174685661
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide
SMILESNC(=O)C(=CCN1CCOCC1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N3O2/c18-17(21)15(5-7-20-8-10-22-11-9-20)13-3-4-16-14(12-13)2-1-6-19-16/h1-6,12H,7-11H2,(H2,18,21)
InChIKeyJZOWZLAJYSRBNM-UHFFFAOYSA-N
XLogP1.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide?
The IUPAC name of 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide (CID 174685661) is 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide.
What is the SMILES notation for 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide?
The canonical SMILES for 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide is NC(=O)C(=CCN1CCOCC1)c1ccc2ncccc2c1.
What is the InChIKey of 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide?
The InChIKey is JZOWZLAJYSRBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-17(21)15(5-7-20-8-10-22-11-9-20)13-3-4-16-14(12-13)2-1-6-19-16/h1-6,12H,7-11H2,(H2,18,21).
What are the key properties of 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide?
4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-quinolin-6-ylbut-2-enamide is sourced from PubChem (CID 174685661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).