methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate

C12H10ClNO2S — CID 162691899

IUPACmethyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
SMILESCOC(=O)c1c(SC)nc2ccccc2c1Cl
InChIInChI=1S/C12H10ClNO2S/c1-16-12(15)9-10(13)7-5-3-4-6-8(7)14-11(9)17-2/h3-6H,1-2H3
InChIKeyRVKPVZFKZBMBCH-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.40
Rot. Bonds2

About methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate

methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate (PubChem CID 162691899) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
PubChem CID162691899
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Namemethyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
SMILESCOC(=O)c1c(SC)nc2ccccc2c1Cl
InChIInChI=1S/C12H10ClNO2S/c1-16-12(15)9-10(13)7-5-3-4-6-8(7)14-11(9)17-2/h3-6H,1-2H3
InChIKeyRVKPVZFKZBMBCH-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl acridine-9-carboxylate
CID 21211
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409
methyl 4-chloro-2-ethylsulfanyl-6-methoxyquinoline-3-carboxylate
CID 162691895
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 20942137
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-[(2-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 20942141
methyl 3-hydroxyacridine-9-carboxylate
CID 135618678
(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
CID 139256386
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
methyl 4-[(4-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]quinoline-3-carboxylate
CID 22425504

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate?
The IUPAC name of methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate (CID 162691899) is methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate is COC(=O)c1c(SC)nc2ccccc2c1Cl.
What is the InChIKey of methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate?
The InChIKey is RVKPVZFKZBMBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-16-12(15)9-10(13)7-5-3-4-6-8(7)14-11(9)17-2/h3-6H,1-2H3.
What are the key properties of methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate?
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate has a molecular weight of 267.74 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate is sourced from PubChem (CID 162691899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).