6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine

C13H12ClFN2 — CID 63357835

IUPAC6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C2CC2)nc2c(F)cc(Cl)cc12
InChIInChI=1S/C13H12ClFN2/c1-16-12-6-11(7-2-3-7)17-13-9(12)4-8(14)5-10(13)15/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyUZFOLCGIVJIRGM-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.95
Rot. Bonds2

About 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine

6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine (PubChem CID 63357835) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine
PubChem CID63357835
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C2CC2)nc2c(F)cc(Cl)cc12
InChIInChI=1S/C13H12ClFN2/c1-16-12-6-11(7-2-3-7)17-13-9(12)4-8(14)5-10(13)15/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyUZFOLCGIVJIRGM-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine (CID 63357835) is 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine is CNc1cc(C2CC2)nc2c(F)cc(Cl)cc12.
What is the InChIKey of 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine?
The InChIKey is UZFOLCGIVJIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-16-12-6-11(7-2-3-7)17-13-9(12)4-8(14)5-10(13)15/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine?
6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine has a molecular weight of 250.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 63357835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).