1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C16H21N5O3S — CID 60539648

IUPAC1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C16H21N5O3S/c1-3-20-11-17-19-16(20)10-18-25(23,24)14-6-7-15-13(9-14)5-4-8-21(15)12(2)22/h6-7,9,11,18H,3-5,8,10H2,1-2H3
InChIKeyXOYFQWOBOMEIIF-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.08
Rot. Bonds5

About 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 60539648) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID60539648
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C16H21N5O3S/c1-3-20-11-17-19-16(20)10-18-25(23,24)14-6-7-15-13(9-14)5-4-8-21(15)12(2)22/h6-7,9,11,18H,3-5,8,10H2,1-2H3
InChIKeyXOYFQWOBOMEIIF-UHFFFAOYSA-N
XLogP1.08
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 47957175
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 60539648) is 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCn1cnnc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is XOYFQWOBOMEIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-3-20-11-17-19-16(20)10-18-25(23,24)14-6-7-15-13(9-14)5-4-8-21(15)12(2)22/h6-7,9,11,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 60539648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).