2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline

C15H12ClNOS — CID 60652149

IUPAC2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline
SMILESClc1nc2ccccc2cc1CSCc1ccco1
InChIInChI=1S/C15H12ClNOS/c16-15-12(9-19-10-13-5-3-7-18-13)8-11-4-1-2-6-14(11)17-15/h1-8H,9-10H2
InChIKeyYNILZHWLZGYKEN-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.91
Rot. Bonds4

About 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline

2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline (PubChem CID 60652149) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline
PubChem CID60652149
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline
SMILESClc1nc2ccccc2cc1CSCc1ccco1
InChIInChI=1S/C15H12ClNOS/c16-15-12(9-19-10-13-5-3-7-18-13)8-11-4-1-2-6-14(11)17-15/h1-8H,9-10H2
InChIKeyYNILZHWLZGYKEN-UHFFFAOYSA-N
XLogP4.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloroquinolin-3-yl)methanamine
CID 71748539
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
2-chloro-3-[(4-chlorophenyl)sulfanylmethyl]quinoline
CID 60652062
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
2-chloro-3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 29383204
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
3-benzyl-2-chloroquinoline
CID 14001237
3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine
CID 103289804
5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine
CID 43302005
2-[(2-chloroquinolin-3-yl)methoxy]aniline
CID 61026521
tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane
CID 144823426

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline?
The IUPAC name of 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline (CID 60652149) is 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline.
What is the SMILES notation for 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline?
The canonical SMILES for 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline is Clc1nc2ccccc2cc1CSCc1ccco1.
What is the InChIKey of 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline?
The InChIKey is YNILZHWLZGYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c16-15-12(9-19-10-13-5-3-7-18-13)8-11-4-1-2-6-14(11)17-15/h1-8H,9-10H2.
What are the key properties of 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline?
2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline has a molecular weight of 289.79 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline is sourced from PubChem (CID 60652149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).