6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine

C16H12F2N2 — CID 50878001

IUPAC6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
SMILESCc1cccc(Nc2ccnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C16H12F2N2/c1-10-3-2-4-12(7-10)20-15-5-6-19-16-13(15)8-11(17)9-14(16)18/h2-9H,1H3,(H,19,20)
InChIKeyAVOLOBZIARJVGL-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.57
Rot. Bonds2

About 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine

6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine (PubChem CID 50878001) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
PubChem CID50878001
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
SMILESCc1cccc(Nc2ccnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C16H12F2N2/c1-10-3-2-4-12(7-10)20-15-5-6-19-16-13(15)8-11(17)9-14(16)18/h2-9H,1H3,(H,19,20)
InChIKeyAVOLOBZIARJVGL-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
CID 50878017
6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
N-(2,4-dimethylphenyl)-8-fluoroquinolin-4-amine
CID 43832975
ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
CID 23239653
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
2-chloro-4-N-(3-methylphenyl)pyridine-3,4-diamine
CID 84697272
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide
CID 133494841
3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine
CID 54773326
N-(4-chlorophenyl)-8-fluoroquinolin-4-amine
CID 43833203

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine?
The IUPAC name of 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine (CID 50878001) is 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine.
What is the SMILES notation for 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine?
The canonical SMILES for 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine is Cc1cccc(Nc2ccnc3c(F)cc(F)cc23)c1.
What is the InChIKey of 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine?
The InChIKey is AVOLOBZIARJVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c1-10-3-2-4-12(7-10)20-15-5-6-19-16-13(15)8-11(17)9-14(16)18/h2-9H,1H3,(H,19,20).
What are the key properties of 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine?
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine has a molecular weight of 270.28 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine is sourced from PubChem (CID 50878001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).