methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate

C16H18N2O6S — CID 3514261

IUPACmethyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O
InChIInChI=1S/C16H18N2O6S/c1-17-10-13(16(20)23-2)15(19)12-9-11(3-4-14(12)17)25(21,22)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUSANZMVKVUAVKZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.35
Rot. Bonds3

About methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate

methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate (PubChem CID 3514261) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
PubChem CID3514261
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Namemethyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O
InChIInChI=1S/C16H18N2O6S/c1-17-10-13(16(20)23-2)15(19)12-9-11(3-4-14(12)17)25(21,22)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUSANZMVKVUAVKZ-UHFFFAOYSA-N
XLogP0.35
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 20859121
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
CID 20968769
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 15996290
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate
CID 26971853
methyl 4-amino-2-morpholin-4-ylsulfonylbenzoate
CID 102930731
1-(4-ethylphenyl)-3-[(1-methyl-5-morpholin-4-ylsulfonylindol-3-yl)methylideneamino]thiourea
CID 4048513
6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157
dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26737021

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate (CID 3514261) is methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate is COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O.
What is the InChIKey of methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate?
The InChIKey is USANZMVKVUAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-17-10-13(16(20)23-2)15(19)12-9-11(3-4-14(12)17)25(21,22)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate?
methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 3514261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).