8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile

C12H9FN2O — CID 82573333

IUPAC8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile
SMILESCOc1cc(C)nc2c(F)cc(C#N)cc12
InChIInChI=1S/C12H9FN2O/c1-7-3-11(16-2)9-4-8(6-14)5-10(13)12(9)15-7/h3-5H,1-2H3
InChIKeySUFLMLRKKJIMAT-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.56
Rot. Bonds1

About 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile

8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile (PubChem CID 82573333) has the molecular formula C12H9FN2O and a molecular weight of 216.21 g/mol. Its IUPAC name is 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile.

Molecular Properties

Compound Name8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile
PubChem CID82573333
Molecular FormulaC12H9FN2O
Molecular Weight216.21 g/mol
Exact Mass216.07
IUPAC Name8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile
SMILESCOc1cc(C)nc2c(F)cc(C#N)cc12
InChIInChI=1S/C12H9FN2O/c1-7-3-11(16-2)9-4-8(6-14)5-10(13)12(9)15-7/h3-5H,1-2H3
InChIKeySUFLMLRKKJIMAT-UHFFFAOYSA-N
XLogP2.56
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone
CID 82576288
3,5-difluoro-4-[(3,4,5-trimethoxyphenyl)methylamino]benzonitrile
CID 60609410
2-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)acetamide
CID 82575448
8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile
CID 58409495
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile
CID 82573342
4-methoxy-2-methylquinolin-8-ol
CID 18321891
3,5-difluoro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 107038187
3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577151
3-amino-4-fluoro-5-methoxybenzonitrile
CID 131288203
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile?
The IUPAC name of 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile (CID 82573333) is 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile.
What is the SMILES notation for 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile?
The canonical SMILES for 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile is COc1cc(C)nc2c(F)cc(C#N)cc12.
What is the InChIKey of 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile?
The InChIKey is SUFLMLRKKJIMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-7-3-11(16-2)9-4-8(6-14)5-10(13)12(9)15-7/h3-5H,1-2H3.
What are the key properties of 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile?
8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile has a molecular weight of 216.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methoxy-2-methylquinoline-6-carbonitrile is sourced from PubChem (CID 82573333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).