2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline

C21H24N4O3S — CID 75430838

IUPAC2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C21H24N4O3S/c1-3-17-9-8-16-6-4-5-7-20(16)25(17)29(26,27)19-12-10-18(11-13-19)28-14-21-22-15-23-24(21)2/h4-7,10-13,15,17H,3,8-9,14H2,1-2H3
InChIKeyOXGBJBPQPXHPLS-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.31
Rot. Bonds6

About 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline

2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 75430838) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID75430838
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C21H24N4O3S/c1-3-17-9-8-16-6-4-5-7-20(16)25(17)29(26,27)19-12-10-18(11-13-19)28-14-21-22-15-23-24(21)2/h4-7,10-13,15,17H,3,8-9,14H2,1-2H3
InChIKeyOXGBJBPQPXHPLS-UHFFFAOYSA-N
XLogP3.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

9-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719502
7-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072437
[1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969299
(1S)-1-[(2S)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 124691051
(4-phenoxyphenyl) 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonate
CID 71912327
N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978808
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974217
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide
CID 71850838
3-[(2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylbenzonitrile
CID 75468333
4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide
CID 46662665

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline (CID 75430838) is 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline is CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1.
What is the InChIKey of 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is OXGBJBPQPXHPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-17-9-8-16-6-4-5-7-20(16)25(17)29(26,27)19-12-10-18(11-13-19)28-14-21-22-15-23-24(21)2/h4-7,10-13,15,17H,3,8-9,14H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 412.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 75430838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).