N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide

C19H16N4O2S — CID 46303602

IUPACN-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccc3ccccc3n12)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C19H16N4O2S/c1-12(18(25)20-14-6-4-7-15(24)11-14)26-19-22-21-17-10-9-13-5-2-3-8-16(13)23(17)19/h2-12,24H,1H3,(H,20,25)
InChIKeyGGZYSILVMAILBL-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.71
Rot. Bonds4

About N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide

N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (PubChem CID 46303602) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
PubChem CID46303602
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccc3ccccc3n12)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C19H16N4O2S/c1-12(18(25)20-14-6-4-7-15(24)11-14)26-19-22-21-17-10-9-13-5-2-3-8-16(13)23(17)19/h2-12,24H,1H3,(H,20,25)
InChIKeyGGZYSILVMAILBL-UHFFFAOYSA-N
XLogP3.71
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303604
N-(4-phenyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303584
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2S)-1-pyrrolidin-1-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propan-1-one
CID 42272540
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)butanamide
CID 46300796
N-(4-methylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 4205219
ethyl 4-carbamoyl-2-methyl-5-[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]furan-3-carboxylate
CID 46303784
ethyl 4-acetyl-5-methyl-2-[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]furan-3-carboxylate
CID 46303783
(2R)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 40973914
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide
CID 29406124
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]thiophene-3-carboxylate
CID 46303753

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (CID 46303602) is N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is CC(Sc1nnc2ccc3ccccc3n12)C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The InChIKey is GGZYSILVMAILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12(18(25)20-14-6-4-7-15(24)11-14)26-19-22-21-17-10-9-13-5-2-3-8-16(13)23(17)19/h2-12,24H,1H3,(H,20,25).
What are the key properties of N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide has a molecular weight of 364.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is sourced from PubChem (CID 46303602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).