6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine

C13H14BrFN2 — CID 103996998

IUPAC6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2cc(F)c(Br)cc2cc1C(C)C
InChIInChI=1S/C13H14BrFN2/c1-7(2)9-4-8-5-10(14)11(15)6-12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyWIOGDFMLTSVVFI-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.30
Rot. Bonds2

About 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine

6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine (PubChem CID 103996998) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine
PubChem CID103996998
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2cc(F)c(Br)cc2cc1C(C)C
InChIInChI=1S/C13H14BrFN2/c1-7(2)9-4-8-5-10(14)11(15)6-12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyWIOGDFMLTSVVFI-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline
CID 103996977
5,7-difluoro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 63232025
6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
CID 103997014
7-fluoro-6-methyl-3-propan-2-yl-N-propylquinolin-2-amine
CID 112674490
N-methyl-6-phenyl-3-propan-2-ylquinolin-2-amine
CID 63524884
5,7,8-trifluoro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 63232395
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
(8-bromo-6-fluoro-3-propan-2-ylquinolin-2-yl)hydrazine
CID 63233356
6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 113363437
N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
CID 63232729
7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 63524898
6-bromo-3-fluoro-N-methylpyridin-2-amine
CID 122605027

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine (CID 103996998) is 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine is CNc1nc2cc(F)c(Br)cc2cc1C(C)C.
What is the InChIKey of 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is WIOGDFMLTSVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c1-7(2)9-4-8-5-10(14)11(15)6-12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine?
6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 297.17 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 103996998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).