N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine

C16H10BrF3N2 — CID 146486830

IUPACN-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine
SMILESCc1nc2c(F)c(F)ccc2cc1Nc1cccc(F)c1Br
InChIInChI=1S/C16H10BrF3N2/c1-8-13(22-12-4-2-3-10(18)14(12)17)7-9-5-6-11(19)15(20)16(9)21-8/h2-7,22H,1H3
InChIKeyFLMHMEYJYLIIDX-UHFFFAOYSA-N
MW367.17 g/mol
LogP5.47
Rot. Bonds2

About N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine

N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine (PubChem CID 146486830) has the molecular formula C16H10BrF3N2 and a molecular weight of 367.17 g/mol. Its IUPAC name is N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine.

Molecular Properties

Compound NameN-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine
PubChem CID146486830
Molecular FormulaC16H10BrF3N2
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC NameN-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine
SMILESCc1nc2c(F)c(F)ccc2cc1Nc1cccc(F)c1Br
InChIInChI=1S/C16H10BrF3N2/c1-8-13(22-12-4-2-3-10(18)14(12)17)7-9-5-6-11(19)15(20)16(9)21-8/h2-7,22H,1H3
InChIKeyFLMHMEYJYLIIDX-UHFFFAOYSA-N
XLogP5.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.17
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine?
The IUPAC name of N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine (CID 146486830) is N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine.
What is the SMILES notation for N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine?
The canonical SMILES for N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine is Cc1nc2c(F)c(F)ccc2cc1Nc1cccc(F)c1Br.
What is the InChIKey of N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine?
The InChIKey is FLMHMEYJYLIIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2/c1-8-13(22-12-4-2-3-10(18)14(12)17)7-9-5-6-11(19)15(20)16(9)21-8/h2-7,22H,1H3.
What are the key properties of N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine?
N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine has a molecular weight of 367.17 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-fluorophenyl)-7,8-difluoro-2-methylquinolin-3-amine is sourced from PubChem (CID 146486830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).