6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile

C19H16FN3O — CID 166214969

IUPAC6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCC(O)c3ccccc3)c(C#N)cnc12
InChIInChI=1S/C19H16FN3O/c1-12-7-15(20)8-16-18(12)22-10-14(9-21)19(16)23-11-17(24)13-5-3-2-4-6-13/h2-8,10,17,24H,11H2,1H3,(H,22,23)
InChIKeyYSEGSFIKMRIPMY-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.70
Rot. Bonds4

About 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile

6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile (PubChem CID 166214969) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
PubChem CID166214969
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCC(O)c3ccccc3)c(C#N)cnc12
InChIInChI=1S/C19H16FN3O/c1-12-7-15(20)8-16-18(12)22-10-14(9-21)19(16)23-11-17(24)13-5-3-2-4-6-13/h2-8,10,17,24H,11H2,1H3,(H,22,23)
InChIKeyYSEGSFIKMRIPMY-UHFFFAOYSA-N
XLogP3.70
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133310755
6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353498
6-fluoro-8-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449212
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133351303
6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133352960
N-butan-2-yl-3-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]benzamide
CID 133317900
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile (CID 166214969) is 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile is Cc1cc(F)cc2c(NCC(O)c3ccccc3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile?
The InChIKey is YSEGSFIKMRIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-12-7-15(20)8-16-18(12)22-10-14(9-21)19(16)23-11-17(24)13-5-3-2-4-6-13/h2-8,10,17,24H,11H2,1H3,(H,22,23).
What are the key properties of 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile?
6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile has a molecular weight of 321.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 166214969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).