(2-chloroquinolin-3-yl)methyl methanesulfonate

C11H10ClNO3S — CID 22388059

IUPAC(2-chloroquinolin-3-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H10ClNO3S/c1-17(14,15)16-7-9-6-8-4-2-3-5-10(8)13-11(9)12/h2-6H,7H2,1H3
InChIKeyLAUTVJUMNGRGSS-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.36
Rot. Bonds3

About (2-chloroquinolin-3-yl)methyl methanesulfonate

(2-chloroquinolin-3-yl)methyl methanesulfonate (PubChem CID 22388059) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)methyl methanesulfonate.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)methyl methanesulfonate
PubChem CID22388059
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Name(2-chloroquinolin-3-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H10ClNO3S/c1-17(14,15)16-7-9-6-8-4-2-3-5-10(8)13-11(9)12/h2-6H,7H2,1H3
InChIKeyLAUTVJUMNGRGSS-UHFFFAOYSA-N
XLogP2.36
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-methoxyquinolin-3-yl)methyl methanesulfonate
CID 46838693
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane
CID 144823426
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
2-chloro-3-(1-phenylethoxymethyl)quinoline
CID 60921717
(2-chloroquinolin-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
CID 16606995
(2-chloroquinolin-3-yl)methyl 3-(methanesulfonamido)benzoate
CID 16558833
(2-chloroquinolin-3-yl)methanamine
CID 71748539
2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
CID 103487973
(2-chloroquinolin-3-yl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 9457780
2-[(2-chloroquinolin-3-yl)methoxy]aniline
CID 61026521
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)methyl methanesulfonate?
The IUPAC name of (2-chloroquinolin-3-yl)methyl methanesulfonate (CID 22388059) is (2-chloroquinolin-3-yl)methyl methanesulfonate.
What is the SMILES notation for (2-chloroquinolin-3-yl)methyl methanesulfonate?
The canonical SMILES for (2-chloroquinolin-3-yl)methyl methanesulfonate is CS(=O)(=O)OCc1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl)methyl methanesulfonate?
The InChIKey is LAUTVJUMNGRGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-17(14,15)16-7-9-6-8-4-2-3-5-10(8)13-11(9)12/h2-6H,7H2,1H3.
What are the key properties of (2-chloroquinolin-3-yl)methyl methanesulfonate?
(2-chloroquinolin-3-yl)methyl methanesulfonate has a molecular weight of 271.73 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)methyl methanesulfonate is sourced from PubChem (CID 22388059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).