9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline

C17H10ClFN2S — CID 57456595

IUPAC9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline
SMILESCc1nc2c(ccc3nc(-c4cccc(F)c4)cc(Cl)c32)s1
InChIInChI=1S/C17H10ClFN2S/c1-9-20-17-15(22-9)6-5-13-16(17)12(18)8-14(21-13)10-3-2-4-11(19)7-10/h2-8H,1H3
InChIKeyRWWKZCLZXJOMDZ-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.61
Rot. Bonds1

About 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline

9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline (PubChem CID 57456595) has the molecular formula C17H10ClFN2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline
PubChem CID57456595
Molecular FormulaC17H10ClFN2S
Molecular Weight328.80 g/mol
Exact Mass328.02
IUPAC Name9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline
SMILESCc1nc2c(ccc3nc(-c4cccc(F)c4)cc(Cl)c32)s1
InChIInChI=1S/C17H10ClFN2S/c1-9-20-17-15(22-9)6-5-13-16(17)12(18)8-14(21-13)10-3-2-4-11(19)7-10/h2-8H,1H3
InChIKeyRWWKZCLZXJOMDZ-UHFFFAOYSA-N
XLogP5.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3-fluorophenyl)quinoxaline
CID 151894475
2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole
CID 175289709
6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646686
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
CID 158996331
2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine
CID 5297690
6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole
CID 178048806
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148

Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline?
The IUPAC name of 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline (CID 57456595) is 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline.
What is the SMILES notation for 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline?
The canonical SMILES for 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline is Cc1nc2c(ccc3nc(-c4cccc(F)c4)cc(Cl)c32)s1.
What is the InChIKey of 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline?
The InChIKey is RWWKZCLZXJOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2S/c1-9-20-17-15(22-9)6-5-13-16(17)12(18)8-14(21-13)10-3-2-4-11(19)7-10/h2-8H,1H3.
What are the key properties of 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline?
9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline has a molecular weight of 328.80 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-(3-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-f]quinoline is sourced from PubChem (CID 57456595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).