6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile

C22H20FN3O — CID 133353498

IUPAC6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCC3CCOC3c3ccccc3)c(C#N)cnc12
InChIInChI=1S/C22H20FN3O/c1-14-9-18(23)10-19-20(14)25-13-17(11-24)21(19)26-12-16-7-8-27-22(16)15-5-3-2-4-6-15/h2-6,9-10,13,16,22H,7-8,12H2,1H3,(H,25,26)
InChIKeyINEYKSBQDUWBAN-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.74
Rot. Bonds4

About 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile

6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile (PubChem CID 133353498) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
PubChem CID133353498
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCC3CCOC3c3ccccc3)c(C#N)cnc12
InChIInChI=1S/C22H20FN3O/c1-14-9-18(23)10-19-20(14)25-13-17(11-24)21(19)26-12-16-7-8-27-22(16)15-5-3-2-4-6-15/h2-6,9-10,13,16,22H,7-8,12H2,1H3,(H,25,26)
InChIKeyINEYKSBQDUWBAN-UHFFFAOYSA-N
XLogP4.74
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353488
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
CID 166214969
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
6-fluoro-8-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449212
6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133352960
6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
CID 133317226
4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317005
6-fluoro-8-methyl-4-[4-(1,2,4-triazol-4-yl)butylamino]quinoline-3-carbonitrile
CID 133325446
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133310255
4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile
CID 133353309

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile (CID 133353498) is 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile is Cc1cc(F)cc2c(NCC3CCOC3c3ccccc3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The InChIKey is INEYKSBQDUWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-14-9-18(23)10-19-20(14)25-13-17(11-24)21(19)26-12-16-7-8-27-22(16)15-5-3-2-4-6-15/h2-6,9-10,13,16,22H,7-8,12H2,1H3,(H,25,26).
What are the key properties of 6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile has a molecular weight of 361.42 g/mol, XLogP of 4.74, 4 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-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133353498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).