(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide

C17H19N3O2 — CID 170877903

IUPAC(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide
SMILESCc1ccc2nc(N3CCOCC3)c(/C=C/C(N)=O)cc2c1
InChIInChI=1S/C17H19N3O2/c1-12-2-4-15-14(10-12)11-13(3-5-16(18)21)17(19-15)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H2,18,21)/b5-3+
InChIKeyQMBYJZAISYJCIZ-HWKANZROSA-N
MW297.36 g/mol
LogP1.88
Rot. Bonds3

About (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide

(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide (PubChem CID 170877903) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide
PubChem CID170877903
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide
SMILESCc1ccc2nc(N3CCOCC3)c(/C=C/C(N)=O)cc2c1
InChIInChI=1S/C17H19N3O2/c1-12-2-4-15-14(10-12)11-13(3-5-16(18)21)17(19-15)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H2,18,21)/b5-3+
InChIKeyQMBYJZAISYJCIZ-HWKANZROSA-N
XLogP1.88
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.88
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 (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide (CID 170877903) is (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide is Cc1ccc2nc(N3CCOCC3)c(/C=C/C(N)=O)cc2c1.
What is the InChIKey of (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide?
The InChIKey is QMBYJZAISYJCIZ-HWKANZROSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-2-4-15-14(10-12)11-13(3-5-16(18)21)17(19-15)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H2,18,21)/b5-3+.
What are the key properties of (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide?
(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 170877903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).