(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate

C23H21N3O7S — CID 55516572

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate
SMILESO=C1CCc2cc(OC(=O)c3cc(=O)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc34)ccc2N1
InChIInChI=1S/C23H21N3O7S/c27-21-6-1-14-11-15(2-4-19(14)24-21)33-23(29)18-13-22(28)25-20-5-3-16(12-17(18)20)34(30,31)26-7-9-32-10-8-26/h2-5,11-13H,1,6-10H2,(H,24,27)(H,25,28)
InChIKeyNMOFQUNBCDBBQS-UHFFFAOYSA-N
MW483.50 g/mol
LogP1.65
Rot. Bonds4

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

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 55516572) has the molecular formula C23H21N3O7S and a molecular weight of 483.50 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate
PubChem CID55516572
Molecular FormulaC23H21N3O7S
Molecular Weight483.50 g/mol
Exact Mass483.11
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate
SMILESO=C1CCc2cc(OC(=O)c3cc(=O)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc34)ccc2N1
InChIInChI=1S/C23H21N3O7S/c27-21-6-1-14-11-15(2-4-19(14)24-21)33-23(29)18-13-22(28)25-20-5-3-16(12-17(18)20)34(30,31)26-7-9-32-10-8-26/h2-5,11-13H,1,6-10H2,(H,24,27)(H,25,28)
InChIKeyNMOFQUNBCDBBQS-UHFFFAOYSA-N
XLogP1.65
TPSA134.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
CID 18266738
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
CID 95047735
(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-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 55535426
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
CID 55676078
6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122335395
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate (CID 55516572) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate is O=C1CCc2cc(OC(=O)c3cc(=O)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc34)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is NMOFQUNBCDBBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O7S/c27-21-6-1-14-11-15(2-4-19(14)24-21)33-23(29)18-13-22(28)25-20-5-3-16(12-17(18)20)34(30,31)26-7-9-32-10-8-26/h2-5,11-13H,1,6-10H2,(H,24,27)(H,25,28).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 483.50 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 55516572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).