2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide

C16H17ClN2OS — CID 51063627

IUPAC2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide
SMILESCC1(NC(=O)CSc2ccnc3cc(Cl)ccc23)CCC1
InChIInChI=1S/C16H17ClN2OS/c1-16(6-2-7-16)19-15(20)10-21-14-5-8-18-13-9-11(17)3-4-12(13)14/h3-5,8-9H,2,6-7,10H2,1H3,(H,19,20)
InChIKeyQXUKBCDVAIWPMX-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.04
Rot. Bonds4

About 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide

2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide (PubChem CID 51063627) has the molecular formula C16H17ClN2OS and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide
PubChem CID51063627
Molecular FormulaC16H17ClN2OS
Molecular Weight320.84 g/mol
Exact Mass320.08
IUPAC Name2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide
SMILESCC1(NC(=O)CSc2ccnc3cc(Cl)ccc23)CCC1
InChIInChI=1S/C16H17ClN2OS/c1-16(6-2-7-16)19-15(20)10-21-14-5-8-18-13-9-11(17)3-4-12(13)14/h3-5,8-9H,2,6-7,10H2,1H3,(H,19,20)
InChIKeyQXUKBCDVAIWPMX-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid
CID 24705650
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595813
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide
CID 56583238
2-(7-chloroquinolin-4-yl)sulfanylphenol
CID 62026689
2-quinolin-4-ylsulfanylacetohydrazide
CID 57355260
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 7428048
7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline
CID 67842022
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(7-chloroquinolin-4-yl)sulfanylpropanoate
CID 155968039
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
CID 54773018
2-(7-bromoquinolin-4-yl)sulfanylacetic acid
CID 43840483

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide?
The IUPAC name of 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide (CID 51063627) is 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide?
The canonical SMILES for 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide is CC1(NC(=O)CSc2ccnc3cc(Cl)ccc23)CCC1.
What is the InChIKey of 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide?
The InChIKey is QXUKBCDVAIWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-16(6-2-7-16)19-15(20)10-21-14-5-8-18-13-9-11(17)3-4-12(13)14/h3-5,8-9H,2,6-7,10H2,1H3,(H,19,20).
What are the key properties of 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide?
2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide has a molecular weight of 320.84 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide is sourced from PubChem (CID 51063627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).