4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid

C17H22N2O4S — CID 120660685

IUPAC4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
SMILESCc1cnc2c(S(=O)(=O)NCC(CC(C)C)C(=O)O)cccc2c1
InChIInChI=1S/C17H22N2O4S/c1-11(2)7-14(17(20)21)10-19-24(22,23)15-6-4-5-13-8-12(3)9-18-16(13)15/h4-6,8-9,11,14,19H,7,10H2,1-3H3,(H,20,21)
InChIKeyFNEBLLZECQZVPJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.57
Rot. Bonds7

About 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid

4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 120660685) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID120660685
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
SMILESCc1cnc2c(S(=O)(=O)NCC(CC(C)C)C(=O)O)cccc2c1
InChIInChI=1S/C17H22N2O4S/c1-11(2)7-14(17(20)21)10-19-24(22,23)15-6-4-5-13-8-12(3)9-18-16(13)15/h4-6,8-9,11,14,19H,7,10H2,1-3H3,(H,20,21)
InChIKeyFNEBLLZECQZVPJ-UHFFFAOYSA-N
XLogP2.57
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
CID 46457653
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
CID 132972500
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 126770392
3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
CID 42960750
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid (CID 120660685) is 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid is Cc1cnc2c(S(=O)(=O)NCC(CC(C)C)C(=O)O)cccc2c1.
What is the InChIKey of 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is FNEBLLZECQZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11(2)7-14(17(20)21)10-19-24(22,23)15-6-4-5-13-8-12(3)9-18-16(13)15/h4-6,8-9,11,14,19H,7,10H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid?
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 350.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 120660685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).