4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid

C24H25N3O7S — CID 90956386

IUPAC4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)NC3(C(=O)O)CCN(C(=O)O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O7S/c1-16-14-17(20-4-2-3-5-21(20)25-16)15-34-18-6-8-19(9-7-18)35(32,33)26-24(22(28)29)10-12-27(13-11-24)23(30)31/h2-9,14,26H,10-13,15H2,1H3,(H,28,29)(H,30,31)
InChIKeyUZDGSVNBVBTHJZ-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.00
Rot. Bonds7

About 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid

4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid (PubChem CID 90956386) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid
PubChem CID90956386
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC Name4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)NC3(C(=O)O)CCN(C(=O)O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O7S/c1-16-14-17(20-4-2-3-5-21(20)25-16)15-34-18-6-8-19(9-7-18)35(32,33)26-24(22(28)29)10-12-27(13-11-24)23(30)31/h2-9,14,26H,10-13,15H2,1H3,(H,28,29)(H,30,31)
InChIKeyUZDGSVNBVBTHJZ-UHFFFAOYSA-N
XLogP3.00
TPSA146.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid 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

methyl 3-[2-(hydroxyamino)-2-oxoethyl]-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidine-1-carboxylate
CID 130273576
4-[(2-methylquinolin-4-yl)methoxy]-N-[3-(2-oxoethyl)-1-(2-piperidin-1-ylacetyl)azetidin-3-yl]benzenesulfonamide
CID 130282667
N-hydroxy-2-[1-(2-methoxyacetyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]acetamide
CID 130274980
2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide
CID 130273569
N-[1-[2-(dimethylamino)-2-methylpropanoyl]-3-(2-oxoethyl)azetidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzenesulfonamide
CID 130283002
1-acetyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 68818825
1-formyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 87586652
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 75306134
trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 68819595
2-(azepan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75306206
(2S)-2-(4-benzylpiperazin-1-yl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanoic acid
CID 66870901

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid (CID 90956386) is 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid is Cc1cc(COc2ccc(S(=O)(=O)NC3(C(=O)O)CCN(C(=O)O)CC3)cc2)c2ccccc2n1.
What is the InChIKey of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid?
The InChIKey is UZDGSVNBVBTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-16-14-17(20-4-2-3-5-21(20)25-16)15-34-18-6-8-19(9-7-18)35(32,33)26-24(22(28)29)10-12-27(13-11-24)23(30)31/h2-9,14,26H,10-13,15H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid?
4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid has a molecular weight of 499.55 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 90956386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).