7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline

C14H16ClNS — CID 55754155

IUPAC7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline
SMILESCC(C)CSCc1c(Cl)ccc2cccnc12
InChIInChI=1S/C14H16ClNS/c1-10(2)8-17-9-12-13(15)6-5-11-4-3-7-16-14(11)12/h3-7,10H,8-9H2,1-2H3
InChIKeyUQHMIFSZJGGPDT-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.78
Rot. Bonds4

About 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline

7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline (PubChem CID 55754155) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline.

Molecular Properties

Compound Name7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline
PubChem CID55754155
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline
SMILESCC(C)CSCc1c(Cl)ccc2cccnc12
InChIInChI=1S/C14H16ClNS/c1-10(2)8-17-9-12-13(15)6-5-11-4-3-7-16-14(11)12/h3-7,10H,8-9H2,1-2H3
InChIKeyUQHMIFSZJGGPDT-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
CID 71889743
3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid
CID 122120288
[2-(2-methylpropylsulfanyl)-1-quinolin-8-ylethyl]hydrazine
CID 105226697
7-chloroquinoline-8-thiol
CID 86200292
N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
CID 175777596
6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
CID 135380861
8-(chloromethyl)-7-methylquinoline
CID 165444274
8-chloroquinoline;ethane
CID 142246255
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200
1-(quinolin-8-ylmethylsulfanyl)butan-2-amine
CID 66227986
benzo[h]quinolin-7-yl(trimethyl)phosphanium
CID 59782114
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline?
The IUPAC name of 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline (CID 55754155) is 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline.
What is the SMILES notation for 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline?
The canonical SMILES for 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline is CC(C)CSCc1c(Cl)ccc2cccnc12.
What is the InChIKey of 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline?
The InChIKey is UQHMIFSZJGGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10(2)8-17-9-12-13(15)6-5-11-4-3-7-16-14(11)12/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline?
7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline has a molecular weight of 265.81 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline is sourced from PubChem (CID 55754155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).