3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide

C17H20N4O3S — CID 126770392

IUPAC3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCc3nc(C(C)C)no3)cccc2c1
InChIInChI=1S/C17H20N4O3S/c1-11(2)17-20-15(24-21-17)7-8-19-25(22,23)14-6-4-5-13-9-12(3)10-18-16(13)14/h4-6,9-11,19H,7-8H2,1-3H3
InChIKeyRHDIKSFIQBDNSM-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.57
Rot. Bonds6

About 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide

3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide (PubChem CID 126770392) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide
PubChem CID126770392
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCc3nc(C(C)C)no3)cccc2c1
InChIInChI=1S/C17H20N4O3S/c1-11(2)17-20-15(24-21-17)7-8-19-25(22,23)14-6-4-5-13-9-12(3)10-18-16(13)14/h4-6,9-11,19H,7-8H2,1-3H3
InChIKeyRHDIKSFIQBDNSM-UHFFFAOYSA-N
XLogP2.57
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide with MolForge

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Related Compounds

3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120717516
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
CID 46457653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide (CID 126770392) is 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCCc3nc(C(C)C)no3)cccc2c1.
What is the InChIKey of 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide?
The InChIKey is RHDIKSFIQBDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-11(2)17-20-15(24-21-17)7-8-19-25(22,23)14-6-4-5-13-9-12(3)10-18-16(13)14/h4-6,9-11,19H,7-8H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide?
3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 126770392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).