6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine

C11H8BrF3N2 — CID 113363437

IUPAC6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(F)c(Br)cc12
InChIInChI=1S/C11H8BrF3N2/c1-16-8-4-10(11(14)15)17-9-3-7(13)6(12)2-5(8)9/h2-4,11H,1H3,(H,16,17)
InChIKeyCAYGQYJIPPQBSZ-UHFFFAOYSA-N
MW305.10 g/mol
LogP4.12
Rot. Bonds2

About 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine

6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine (PubChem CID 113363437) has the molecular formula C11H8BrF3N2 and a molecular weight of 305.10 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
PubChem CID113363437
Molecular FormulaC11H8BrF3N2
Molecular Weight305.10 g/mol
Exact Mass303.98
IUPAC Name6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(F)c(Br)cc12
InChIInChI=1S/C11H8BrF3N2/c1-16-8-4-10(11(14)15)17-9-3-7(13)6(12)2-5(8)9/h2-4,11H,1H3,(H,16,17)
InChIKeyCAYGQYJIPPQBSZ-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 54.12
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,6-dimethylquinolin-4-amine
CID 113445330
7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 62892094
6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine
CID 114002166
6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
CID 165443847
2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine
CID 63181107
6-fluoro-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62202391
2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine
CID 62891070
7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
CID 113445336
6,7-dimethoxy-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62203943
2-(difluoromethyl)-6,7-difluoroquinolin-4-amine
CID 62890537
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
The IUPAC name of 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine (CID 113363437) is 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine is CNc1cc(C(F)F)nc2cc(F)c(Br)cc12.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
The InChIKey is CAYGQYJIPPQBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2/c1-16-8-4-10(11(14)15)17-9-3-7(13)6(12)2-5(8)9/h2-4,11H,1H3,(H,16,17).
What are the key properties of 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine has a molecular weight of 305.10 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 113363437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).