3-chloro-7-fluoro-2-methylquinolin-4-amine

C10H8ClFN2 — CID 121236696

IUPAC3-chloro-7-fluoro-2-methylquinolin-4-amine
SMILESCc1nc2cc(F)ccc2c(N)c1Cl
InChIInChI=1S/C10H8ClFN2/c1-5-9(11)10(13)7-3-2-6(12)4-8(7)14-5/h2-4H,1H3,(H2,13,14)
InChIKeyJXJMUKULFCXYQP-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.92
Rot. Bonds

About 3-chloro-7-fluoro-2-methylquinolin-4-amine

3-chloro-7-fluoro-2-methylquinolin-4-amine (PubChem CID 121236696) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 3-chloro-7-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound Name3-chloro-7-fluoro-2-methylquinolin-4-amine
PubChem CID121236696
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name3-chloro-7-fluoro-2-methylquinolin-4-amine
SMILESCc1nc2cc(F)ccc2c(N)c1Cl
InChIInChI=1S/C10H8ClFN2/c1-5-9(11)10(13)7-3-2-6(12)4-8(7)14-5/h2-4H,1H3,(H2,13,14)
InChIKeyJXJMUKULFCXYQP-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-7-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 3-chloro-7-fluoro-2-methylquinolin-4-amine?
The IUPAC name of 3-chloro-7-fluoro-2-methylquinolin-4-amine (CID 121236696) is 3-chloro-7-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for 3-chloro-7-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for 3-chloro-7-fluoro-2-methylquinolin-4-amine is Cc1nc2cc(F)ccc2c(N)c1Cl.
What is the InChIKey of 3-chloro-7-fluoro-2-methylquinolin-4-amine?
The InChIKey is JXJMUKULFCXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-5-9(11)10(13)7-3-2-6(12)4-8(7)14-5/h2-4H,1H3,(H2,13,14).
What are the key properties of 3-chloro-7-fluoro-2-methylquinolin-4-amine?
3-chloro-7-fluoro-2-methylquinolin-4-amine has a molecular weight of 210.64 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 121236696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).