(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate

C20H20N2O4 — CID 95047735

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
SMILESO=C1CCc2cc(OC(=O)c3ccc(N4CCOCC4)cc3)ccc2N1
InChIInChI=1S/C20H20N2O4/c23-19-8-3-15-13-17(6-7-18(15)21-19)26-20(24)14-1-4-16(5-2-14)22-9-11-25-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,23)
InChIKeyXMPHJZZIHSAGHR-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.63
Rot. Bonds3

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate (PubChem CID 95047735) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
PubChem CID95047735
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
SMILESO=C1CCc2cc(OC(=O)c3ccc(N4CCOCC4)cc3)ccc2N1
InChIInChI=1S/C20H20N2O4/c23-19-8-3-15-13-17(6-7-18(15)21-19)26-20(24)14-1-4-16(5-2-14)22-9-11-25-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,23)
InChIKeyXMPHJZZIHSAGHR-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
CID 18266738
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 18226763
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(difluoromethylsulfonyl)benzoate
CID 18270386
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate
CID 55516572
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18275651
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
CID 47581087
6-(C-methyl-N-morpholin-4-ylcarbonimidoyl)-3,4-dihydro-1H-quinolin-2-one
CID 91942406
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 55535426
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate (CID 95047735) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate is O=C1CCc2cc(OC(=O)c3ccc(N4CCOCC4)cc3)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate?
The InChIKey is XMPHJZZIHSAGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19-8-3-15-13-17(6-7-18(15)21-19)26-20(24)14-1-4-16(5-2-14)22-9-11-25-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,23).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate has a molecular weight of 352.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate is sourced from PubChem (CID 95047735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).