7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile

C11H11FN2 — CID 83636757

IUPAC7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile
SMILESCC1(C#N)CCNc2cc(F)ccc21
InChIInChI=1S/C11H11FN2/c1-11(7-13)4-5-14-10-6-8(12)2-3-9(10)11/h2-3,6,14H,4-5H2,1H3
InChIKeyFHOJNXYVQNYXOP-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.42
Rot. Bonds

About 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile

7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile (PubChem CID 83636757) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile.

Molecular Properties

Compound Name7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile
PubChem CID83636757
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile
SMILESCC1(C#N)CCNc2cc(F)ccc21
InChIInChI=1S/C11H11FN2/c1-11(7-13)4-5-14-10-6-8(12)2-3-9(10)11/h2-3,6,14H,4-5H2,1H3
InChIKeyFHOJNXYVQNYXOP-UHFFFAOYSA-N
XLogP2.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile?
The IUPAC name of 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile (CID 83636757) is 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile.
What is the SMILES notation for 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile?
The canonical SMILES for 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile is CC1(C#N)CCNc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile?
The InChIKey is FHOJNXYVQNYXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-11(7-13)4-5-14-10-6-8(12)2-3-9(10)11/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile?
7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile has a molecular weight of 190.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2,3-dihydro-1H-quinoline-4-carbonitrile is sourced from PubChem (CID 83636757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).