3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one

C14H11ClFN3OS — CID 127049893

IUPAC3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C14H11ClFN3OS/c1-2-19-5-8(11-6-21-14(17)18-11)13(20)7-3-10(16)9(15)4-12(7)19/h3-6H,2H2,1H3,(H2,17,18)
InChIKeySDVRCNYYSRFCDA-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.52
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one

3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one (PubChem CID 127049893) has the molecular formula C14H11ClFN3OS and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one
PubChem CID127049893
Molecular FormulaC14H11ClFN3OS
Molecular Weight323.78 g/mol
Exact Mass323.03
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C14H11ClFN3OS/c1-2-19-5-8(11-6-21-14(17)18-11)13(20)7-3-10(16)9(15)4-12(7)19/h3-6H,2H2,1H3,(H2,17,18)
InChIKeySDVRCNYYSRFCDA-UHFFFAOYSA-N
XLogP3.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Amino-1,3-thiazol-4-yl)-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-6-fluoroquinolin-4-one
CID 162653391
3-(2-Amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-pyrrolidin-1-ylquinolin-4-one
CID 127049787
3-(2-Amino-1,3-thiazol-4-yl)-7-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-1-ethyl-6-fluoroquinolin-4-one
CID 162665816
3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one
CID 127050838
3-(2-Amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperazin-1-ylquinolin-4-one
CID 127051092
3-(2-Amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
CID 127052246
3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 127049480
3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one
CID 127049481
3-(2-Amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-morpholin-4-ylquinolin-4-one
CID 127049788
Tert-butyl 4-[3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-4-oxoquinolin-6-yl]piperazine-1-carboxylate
CID 127049789
3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one
CID 127050818
3-(2-Amino-1,3-thiazol-4-yl)-1-ethyl-6,7-difluoroquinolin-4-one
CID 127051926

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one (CID 127049893) is 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one is CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(Cl)cc21.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one?
The InChIKey is SDVRCNYYSRFCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3OS/c1-2-19-5-8(11-6-21-14(17)18-11)13(20)7-3-10(16)9(15)4-12(7)19/h3-6H,2H2,1H3,(H2,17,18).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one?
3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one has a molecular weight of 323.78 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4-one is sourced from PubChem (CID 127049893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).