8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine

C13H14ClFN2 — CID 107531258

IUPAC8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine
SMILESCCc1c(C)nc2c(Cl)ccc(F)c2c1NC
InChIInChI=1S/C13H14ClFN2/c1-4-8-7(2)17-13-9(14)5-6-10(15)11(13)12(8)16-3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyZVBNYTNQTOFSMN-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.94
Rot. Bonds2

About 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine

8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine (PubChem CID 107531258) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine
PubChem CID107531258
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine
SMILESCCc1c(C)nc2c(Cl)ccc(F)c2c1NC
InChIInChI=1S/C13H14ClFN2/c1-4-8-7(2)17-13-9(14)5-6-10(15)11(13)12(8)16-3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyZVBNYTNQTOFSMN-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,8-dichloro-3-ethyl-2-methylquinolin-4-yl)hydrazine
CID 63483882
4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
CID 63408775
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
3-ethyl-N,2,5,8-tetramethylquinolin-4-amine
CID 62204126
8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
CID 107531263
7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
CID 63479361
8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
CID 107628661
8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
CID 107628279
7-chloro-N,3-diethyl-2,8-dimethylquinolin-4-amine
CID 63480239
8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine
CID 107531295
(5-bromo-3-ethyl-8-fluoro-2-methylquinolin-4-yl)hydrazine
CID 62250940
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
CID 55197104

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine?
The IUPAC name of 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine (CID 107531258) is 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine?
The canonical SMILES for 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine is CCc1c(C)nc2c(Cl)ccc(F)c2c1NC.
What is the InChIKey of 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine?
The InChIKey is ZVBNYTNQTOFSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-4-8-7(2)17-13-9(14)5-6-10(15)11(13)12(8)16-3/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine?
8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine has a molecular weight of 252.72 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 107531258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).