6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile

C16H16FN3O — CID 133352960

IUPAC6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCC3(C)COC3)c(C#N)cnc12
InChIInChI=1S/C16H16FN3O/c1-10-3-12(17)4-13-14(10)19-6-11(5-18)15(13)20-7-16(2)8-21-9-16/h3-4,6H,7-9H2,1-2H3,(H,19,20)
InChIKeyWRWAUWXNSYWSAT-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.00
Rot. Bonds3

About 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile

6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile (PubChem CID 133352960) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
PubChem CID133352960
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCC3(C)COC3)c(C#N)cnc12
InChIInChI=1S/C16H16FN3O/c1-10-3-12(17)4-13-14(10)19-6-11(5-18)15(13)20-7-16(2)8-21-9-16/h3-4,6H,7-9H2,1-2H3,(H,19,20)
InChIKeyWRWAUWXNSYWSAT-UHFFFAOYSA-N
XLogP3.00
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430686
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
CID 133317226
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
6-fluoro-8-methyl-4-[4-(1,2,4-triazol-4-yl)butylamino]quinoline-3-carbonitrile
CID 133325446
6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
CID 166214969
6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353498
4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317005
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133310255
6-fluoro-8-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449212
6-fluoro-8-methyl-4-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]quinoline-3-carbonitrile
CID 133354374

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile (CID 133352960) is 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile is Cc1cc(F)cc2c(NCC3(C)COC3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile?
The InChIKey is WRWAUWXNSYWSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10-3-12(17)4-13-14(10)19-6-11(5-18)15(13)20-7-16(2)8-21-9-16/h3-4,6H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile?
6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133352960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).