8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine

C12H12ClFN2 — CID 107531263

IUPAC8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
SMILESCCc1cc(NC)c2c(F)ccc(Cl)c2n1
InChIInChI=1S/C12H12ClFN2/c1-3-7-6-10(15-2)11-9(14)5-4-8(13)12(11)16-7/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyUNQNNCNUAQAWOQ-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.63
Rot. Bonds2

About 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine

8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine (PubChem CID 107531263) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
PubChem CID107531263
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
SMILESCCc1cc(NC)c2c(F)ccc(Cl)c2n1
InChIInChI=1S/C12H12ClFN2/c1-3-7-6-10(15-2)11-9(14)5-4-8(13)12(11)16-7/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyUNQNNCNUAQAWOQ-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine?
The IUPAC name of 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine (CID 107531263) is 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine?
The canonical SMILES for 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine is CCc1cc(NC)c2c(F)ccc(Cl)c2n1.
What is the InChIKey of 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine?
The InChIKey is UNQNNCNUAQAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-3-7-6-10(15-2)11-9(14)5-4-8(13)12(11)16-7/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine?
8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine has a molecular weight of 238.69 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 107531263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).