6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one

C15H15ClN4OS — CID 22580236

IUPAC6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one
SMILESCCCc1nc(SCc2cc(=O)c3cc(Cl)ccc3[nH]2)n[nH]1
InChIInChI=1S/C15H15ClN4OS/c1-2-3-14-18-15(20-19-14)22-8-10-7-13(21)11-6-9(16)4-5-12(11)17-10/h4-7H,2-3,8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyALLFSGHPTAHOEV-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.54
Rot. Bonds5

About 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one

6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one (PubChem CID 22580236) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one
PubChem CID22580236
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one
SMILESCCCc1nc(SCc2cc(=O)c3cc(Cl)ccc3[nH]2)n[nH]1
InChIInChI=1S/C15H15ClN4OS/c1-2-3-14-18-15(20-19-14)22-8-10-7-13(21)11-6-9(16)4-5-12(11)17-10/h4-7H,2-3,8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyALLFSGHPTAHOEV-UHFFFAOYSA-N
XLogP3.54
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one
CID 22580252
3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 30685662
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-fluoro-1H-quinolin-4-one
CID 22580244
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one
CID 22580137
1,3-dimethyl-6-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrimidine-2,4-dione
CID 18134330
6-chloro-2-[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one
CID 46355809
3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 24657718
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 24657713
5-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 91679119
2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 46355519
6-chloro-4-(cyclobutylmethylsulfanyl)-3-propyl-1H-quinolin-2-one
CID 503388
2-(2-methylpropyl)-7-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20939025

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one?
The IUPAC name of 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one (CID 22580236) is 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one is CCCc1nc(SCc2cc(=O)c3cc(Cl)ccc3[nH]2)n[nH]1.
What is the InChIKey of 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one?
The InChIKey is ALLFSGHPTAHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-2-3-14-18-15(20-19-14)22-8-10-7-13(21)11-6-9(16)4-5-12(11)17-10/h4-7H,2-3,8H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one?
6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one has a molecular weight of 334.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one is sourced from PubChem (CID 22580236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).