2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid

C17H20N2O5S — CID 146128051

IUPAC2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
SMILESCc1ccc2cccnc2c1S(=O)(=O)NC(CC1CCOC1)C(=O)O
InChIInChI=1S/C17H20N2O5S/c1-11-4-5-13-3-2-7-18-15(13)16(11)25(22,23)19-14(17(20)21)9-12-6-8-24-10-12/h2-5,7,12,14,19H,6,8-10H2,1H3,(H,20,21)
InChIKeyRERVQCRMGJCGEY-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.70
Rot. Bonds6

About 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid

2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid (PubChem CID 146128051) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
PubChem CID146128051
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
SMILESCc1ccc2cccnc2c1S(=O)(=O)NC(CC1CCOC1)C(=O)O
InChIInChI=1S/C17H20N2O5S/c1-11-4-5-13-3-2-7-18-15(13)16(11)25(22,23)19-14(17(20)21)9-12-6-8-24-10-12/h2-5,7,12,14,19H,6,8-10H2,1H3,(H,20,21)
InChIKeyRERVQCRMGJCGEY-UHFFFAOYSA-N
XLogP1.70
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128072
2-[(3,5-dimethylthiophen-2-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 154742673
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
CID 136539877
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
CID 167762700
3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
CID 166331975
(2S)-3-[(3S)-oxolan-3-yl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430238
3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
CID 167898154
N,7-dimethyl-N-(morpholin-3-ylmethyl)quinoline-8-sulfonamide
CID 167805211
N-[2-methyl-4-[4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505222
2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
CID 155948071
2-(4-chlorophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
CID 166209694
2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid (CID 146128051) is 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid is Cc1ccc2cccnc2c1S(=O)(=O)NC(CC1CCOC1)C(=O)O.
What is the InChIKey of 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid?
The InChIKey is RERVQCRMGJCGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11-4-5-13-3-2-7-18-15(13)16(11)25(22,23)19-14(17(20)21)9-12-6-8-24-10-12/h2-5,7,12,14,19H,6,8-10H2,1H3,(H,20,21).
What are the key properties of 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid?
2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid has a molecular weight of 364.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 146128051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).