ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate

C26H29N3O6S — CID 39851255

IUPACethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2c1=O
InChIInChI=1S/C26H29N3O6S/c1-3-28-17-22(26(32)35-4-2)24(30)21-16-19(10-13-23(21)28)27-25(31)18-8-11-20(12-9-18)36(33,34)29-14-6-5-7-15-29/h8-13,16-17H,3-7,14-15H2,1-2H3,(H,27,31)
InChIKeyAOTVMUSRMMBFEA-UHFFFAOYSA-N
MW511.60 g/mol
LogP3.62
Rot. Bonds7

About ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate

ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate (PubChem CID 39851255) has the molecular formula C26H29N3O6S and a molecular weight of 511.60 g/mol. Its IUPAC name is ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate
PubChem CID39851255
Molecular FormulaC26H29N3O6S
Molecular Weight511.60 g/mol
Exact Mass511.18
IUPAC Nameethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2c1=O
InChIInChI=1S/C26H29N3O6S/c1-3-28-17-22(26(32)35-4-2)24(30)21-16-19(10-13-23(21)28)27-25(31)18-8-11-20(12-9-18)36(33,34)29-14-6-5-7-15-29/h8-13,16-17H,3-7,14-15H2,1-2H3,(H,27,31)
InChIKeyAOTVMUSRMMBFEA-UHFFFAOYSA-N
XLogP3.62
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 3238877
ethyl 5-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]-2-chlorobenzoate
CID 28634134
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7166930
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(3-amino-4-methylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867146
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate (CID 39851255) is ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate?
The InChIKey is AOTVMUSRMMBFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6S/c1-3-28-17-22(26(32)35-4-2)24(30)21-16-19(10-13-23(21)28)27-25(31)18-8-11-20(12-9-18)36(33,34)29-14-6-5-7-15-29/h8-13,16-17H,3-7,14-15H2,1-2H3,(H,27,31).
What are the key properties of ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate?
ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate has a molecular weight of 511.60 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 39851255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).