2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide

C15H17F2N3O — CID 133494841

IUPAC2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1ccnc2c(F)cc(F)cc12)C(C)C
InChIInChI=1S/C15H17F2N3O/c1-8(2)13(15(21)18-3)20-12-4-5-19-14-10(12)6-9(16)7-11(14)17/h4-8,13H,1-3H3,(H,18,21)(H,19,20)
InChIKeyJKSBDIZQAKXRHD-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.70
Rot. Bonds4

About 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide

2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide (PubChem CID 133494841) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide
PubChem CID133494841
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1ccnc2c(F)cc(F)cc12)C(C)C
InChIInChI=1S/C15H17F2N3O/c1-8(2)13(15(21)18-3)20-12-4-5-19-14-10(12)6-9(16)7-11(14)17/h4-8,13H,1-3H3,(H,18,21)(H,19,20)
InChIKeyJKSBDIZQAKXRHD-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
CID 91661517
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide
CID 133388131
3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133494569
3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine
CID 133494069
6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
CID 50878017
8-chloro-6-fluoro-N-methylquinolin-4-amine
CID 62192590
(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 99712353
methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
CID 113367705
6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
CID 164570300

Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide?
The IUPAC name of 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide (CID 133494841) is 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide?
The canonical SMILES for 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide is CNC(=O)C(Nc1ccnc2c(F)cc(F)cc12)C(C)C.
What is the InChIKey of 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide?
The InChIKey is JKSBDIZQAKXRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-8(2)13(15(21)18-3)20-12-4-5-19-14-10(12)6-9(16)7-11(14)17/h4-8,13H,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide?
2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide has a molecular weight of 293.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 133494841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).