1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide

C18H23N3O5S — CID 5309747

IUPAC1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
SMILESCCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C18H23N3O5S/c1-4-20-12-15(18(23)21-7-9-26-10-8-21)17(22)14-11-13(5-6-16(14)20)27(24,25)19(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyYEBQIXBOQZQBQW-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.74
Rot. Bonds4

About 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide

1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide (PubChem CID 5309747) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
PubChem CID5309747
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
SMILESCCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C18H23N3O5S/c1-4-20-12-15(18(23)21-7-9-26-10-8-21)17(22)14-11-13(5-6-16(14)20)27(24,25)19(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyYEBQIXBOQZQBQW-UHFFFAOYSA-N
XLogP0.74
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
CID 126457207
1-ethyl-6-methyl-3-(morpholine-4-carbonyl)-1,7-naphthyridin-4-one
CID 143657497
N-[2-(diethylamino)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5308234
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
ethyl 4-(1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 3238877
3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
CID 20859043
N-[(2-chlorophenyl)methyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 6622234
1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 20859121
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 20859389
1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 141190200
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide?
The IUPAC name of 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide (CID 5309747) is 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide is CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide?
The InChIKey is YEBQIXBOQZQBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-4-20-12-15(18(23)21-7-9-26-10-8-21)17(22)14-11-13(5-6-16(14)20)27(24,25)19(2)3/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide?
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 5309747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).