6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine

C13H14ClFN2 — CID 113363430

IUPAC6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine
SMILESCCc1nc2cc(F)c(Cl)cc2c(NC)c1C
InChIInChI=1S/C13H14ClFN2/c1-4-11-7(2)13(16-3)8-5-9(14)10(15)6-12(8)17-11/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyHQDXCAKDGQPMEZ-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.94
Rot. Bonds2

About 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine

6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine (PubChem CID 113363430) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine
PubChem CID113363430
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine
SMILESCCc1nc2cc(F)c(Cl)cc2c(NC)c1C
InChIInChI=1S/C13H14ClFN2/c1-4-11-7(2)13(16-3)8-5-9(14)10(15)6-12(8)17-11/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyHQDXCAKDGQPMEZ-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

(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
CID 103996238
2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine
CID 55221787
6-chloro-N,2-diethyl-7-methoxy-3-methylquinolin-4-amine
CID 107623092
6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 103996806
2-ethyl-6-fluoro-3,4,7-trimethylquinoline
CID 165443842
6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine
CID 63562058
7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722067
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
4,5,7-trichloro-2-ethyl-6-fluoro-3-methylquinoline
CID 107577499
7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline
CID 165443851
8-chloro-6-fluoro-N,2,3-trimethylquinolin-4-amine
CID 62203429
N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine
CID 62203936

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine (CID 113363430) is 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine is CCc1nc2cc(F)c(Cl)cc2c(NC)c1C.
What is the InChIKey of 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine?
The InChIKey is HQDXCAKDGQPMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-4-11-7(2)13(16-3)8-5-9(14)10(15)6-12(8)17-11/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine?
6-chloro-2-ethyl-7-fluoro-N,3-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 6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine is sourced from PubChem (CID 113363430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).