7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile

C12H9FN2O — CID 59849538

IUPAC7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
SMILESCOc1cc2c(C)c(C#N)cnc2cc1F
InChIInChI=1S/C12H9FN2O/c1-7-8(5-14)6-15-11-4-10(13)12(16-2)3-9(7)11/h3-4,6H,1-2H3
InChIKeyPLFNOFBNKNOAIY-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.56
Rot. Bonds1

About 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile

7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile (PubChem CID 59849538) has the molecular formula C12H9FN2O and a molecular weight of 216.21 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
PubChem CID59849538
Molecular FormulaC12H9FN2O
Molecular Weight216.21 g/mol
Exact Mass216.07
IUPAC Name7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
SMILESCOc1cc2c(C)c(C#N)cnc2cc1F
InChIInChI=1S/C12H9FN2O/c1-7-8(5-14)6-15-11-4-10(13)12(16-2)3-9(7)11/h3-4,6H,1-2H3
InChIKeyPLFNOFBNKNOAIY-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile?
The IUPAC name of 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile (CID 59849538) is 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile.
What is the SMILES notation for 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile?
The canonical SMILES for 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile is COc1cc2c(C)c(C#N)cnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile?
The InChIKey is PLFNOFBNKNOAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-7-8(5-14)6-15-11-4-10(13)12(16-2)3-9(7)11/h3-4,6H,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile?
7-fluoro-6-methoxy-4-methylquinoline-3-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 7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile is sourced from PubChem (CID 59849538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).