3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid

C18H22N2O5S — CID 132972500

IUPAC3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
SMILESCc1cnc2c(S(=O)(=O)NCC(C(=O)O)C3CCOCC3)cccc2c1
InChIInChI=1S/C18H22N2O5S/c1-12-9-14-3-2-4-16(17(14)19-10-12)26(23,24)20-11-15(18(21)22)13-5-7-25-8-6-13/h2-4,9-10,13,15,20H,5-8,11H2,1H3,(H,21,22)
InChIKeyCWNKSJPCLGTSHY-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.95
Rot. Bonds6

About 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid

3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid (PubChem CID 132972500) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
PubChem CID132972500
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
SMILESCc1cnc2c(S(=O)(=O)NCC(C(=O)O)C3CCOCC3)cccc2c1
InChIInChI=1S/C18H22N2O5S/c1-12-9-14-3-2-4-16(17(14)19-10-12)26(23,24)20-11-15(18(21)22)13-5-7-25-8-6-13/h2-4,9-10,13,15,20H,5-8,11H2,1H3,(H,21,22)
InChIKeyCWNKSJPCLGTSHY-UHFFFAOYSA-N
XLogP1.95
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic 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

CID 694373
CID 694373
CID 3590647
CID 3590647
CID 2917197
CID 2917197
CID 42601317
CID 42601317
CID 683417
CID 683417
CID 4133843
CID 4133843
CID 51080447
CID 51080447
CID 177660180
CID 177660180
CID 44273464
CID 44273464
CID 122197353
CID 122197353
CID 4455274
CID 4455274
CID 110201524
CID 110201524

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid?
The IUPAC name of 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid (CID 132972500) is 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid.
What is the SMILES notation for 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid?
The canonical SMILES for 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid is Cc1cnc2c(S(=O)(=O)NCC(C(=O)O)C3CCOCC3)cccc2c1.
What is the InChIKey of 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid?
The InChIKey is CWNKSJPCLGTSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12-9-14-3-2-4-16(17(14)19-10-12)26(23,24)20-11-15(18(21)22)13-5-7-25-8-6-13/h2-4,9-10,13,15,20H,5-8,11H2,1H3,(H,21,22).
What are the key properties of 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid?
3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid has a molecular weight of 378.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid is sourced from PubChem (CID 132972500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).