8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine

C14H16ClFN2 — CID 55197104

IUPAC8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
SMILESCCNc1c(CC)c(C)nc2c(Cl)cc(F)cc12
InChIInChI=1S/C14H16ClFN2/c1-4-10-8(3)18-14-11(13(10)17-5-2)6-9(16)7-12(14)15/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyWIVVWYZKLADFRT-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.33
Rot. Bonds3

About 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine

8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine (PubChem CID 55197104) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
PubChem CID55197104
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
SMILESCCNc1c(CC)c(C)nc2c(Cl)cc(F)cc12
InChIInChI=1S/C14H16ClFN2/c1-4-10-8(3)18-14-11(13(10)17-5-2)6-9(16)7-12(14)15/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyWIVVWYZKLADFRT-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine?
The IUPAC name of 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine (CID 55197104) is 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine is CCNc1c(CC)c(C)nc2c(Cl)cc(F)cc12.
What is the InChIKey of 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine?
The InChIKey is WIVVWYZKLADFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-4-10-8(3)18-14-11(13(10)17-5-2)6-9(16)7-12(14)15/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine?
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine has a molecular weight of 266.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 55197104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).