7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine

C12H11ClF2N2 — CID 113445330

IUPAC7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C12H11ClF2N2/c1-6-3-7-9(16-2)5-11(12(14)15)17-10(7)4-8(6)13/h3-5,12H,1-2H3,(H,16,17)
InChIKeyJLXXTWCFPUZESP-UHFFFAOYSA-N
MW256.68 g/mol
LogP4.18
Rot. Bonds2

About 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine

7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine (PubChem CID 113445330) has the molecular formula C12H11ClF2N2 and a molecular weight of 256.68 g/mol. Its IUPAC name is 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
PubChem CID113445330
Molecular FormulaC12H11ClF2N2
Molecular Weight256.68 g/mol
Exact Mass256.06
IUPAC Name7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C12H11ClF2N2/c1-6-3-7-9(16-2)5-11(12(14)15)17-10(7)4-8(6)13/h3-5,12H,1-2H3,(H,16,17)
InChIKeyJLXXTWCFPUZESP-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 103996806
7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
CID 113445336
6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 113363437
7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 62892094
6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
CID 165443847
2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine
CID 62891070
5-chloro-2-fluoro-N,4-dimethylaniline
CID 131225434
7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722067
6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine
CID 114002166
2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine
CID 63181107
6-fluoro-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62202391
7-fluoro-N,6-dimethyl-2-phenylquinolin-4-amine
CID 103996202

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine?
The IUPAC name of 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine (CID 113445330) is 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine.
What is the SMILES notation for 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine?
The canonical SMILES for 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine is CNc1cc(C(F)F)nc2cc(Cl)c(C)cc12.
What is the InChIKey of 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine?
The InChIKey is JLXXTWCFPUZESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2/c1-6-3-7-9(16-2)5-11(12(14)15)17-10(7)4-8(6)13/h3-5,12H,1-2H3,(H,16,17).
What are the key properties of 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine?
7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine has a molecular weight of 256.68 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine is sourced from PubChem (CID 113445330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).