2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine

C13H11ClF2N2S — CID 123538480

IUPAC2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine
SMILESCc1c(N2CCCS2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C13H11ClF2N2S/c1-7-12(14)11-9(16)5-8(15)6-10(11)17-13(7)18-3-2-4-19-18/h5-6H,2-4H2,1H3
InChIKeyJNOWPTJTQCMGAO-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.33
Rot. Bonds1

About 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine

2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine (PubChem CID 123538480) has the molecular formula C13H11ClF2N2S and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine.

Molecular Properties

Compound Name2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine
PubChem CID123538480
Molecular FormulaC13H11ClF2N2S
Molecular Weight300.76 g/mol
Exact Mass300.03
IUPAC Name2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine
SMILESCc1c(N2CCCS2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C13H11ClF2N2S/c1-7-12(14)11-9(16)5-8(15)6-10(11)17-13(7)18-3-2-4-19-18/h5-6H,2-4H2,1H3
InChIKeyJNOWPTJTQCMGAO-UHFFFAOYSA-N
XLogP4.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one
CID 59631552
4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid
CID 67284689
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one
CID 59631317
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one
CID 59631203
2-benzyl-4-chloro-5,7-difluoro-3-methylquinoline
CID 59631490
4-chloro-5,7-difluoro-2,3-dimethylquinoline;5,7-difluoro-2,3-dimethyl-1H-quinolin-4-one
CID 158931541
N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide
CID 91448137
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144
4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline
CID 91215685
3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236453
4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
CID 59631080
4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 158795035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine?
The IUPAC name of 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine (CID 123538480) is 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine.
What is the SMILES notation for 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine?
The canonical SMILES for 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine is Cc1c(N2CCCS2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine?
The InChIKey is JNOWPTJTQCMGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2S/c1-7-12(14)11-9(16)5-8(15)6-10(11)17-13(7)18-3-2-4-19-18/h5-6H,2-4H2,1H3.
What are the key properties of 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine?
2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine has a molecular weight of 300.76 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine is sourced from PubChem (CID 123538480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).