4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile

C16H16FN3 — CID 133324355

IUPAC4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCCC3CC3)c(C#N)cnc12
InChIInChI=1S/C16H16FN3/c1-10-6-13(17)7-14-15(10)20-9-12(8-18)16(14)19-5-4-11-2-3-11/h6-7,9,11H,2-5H2,1H3,(H,19,20)
InChIKeyGBUINJIMGVQGOP-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.77
Rot. Bonds4

About 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile

4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile (PubChem CID 133324355) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
PubChem CID133324355
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCCC3CC3)c(C#N)cnc12
InChIInChI=1S/C16H16FN3/c1-10-6-13(17)7-14-15(10)20-9-12(8-18)16(14)19-5-4-11-2-3-11/h6-7,9,11H,2-5H2,1H3,(H,19,20)
InChIKeyGBUINJIMGVQGOP-UHFFFAOYSA-N
XLogP3.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile?
The IUPAC name of 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile (CID 133324355) is 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile is Cc1cc(F)cc2c(NCCC3CC3)c(C#N)cnc12.
What is the InChIKey of 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile?
The InChIKey is GBUINJIMGVQGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-10-6-13(17)7-14-15(10)20-9-12(8-18)16(14)19-5-4-11-2-3-11/h6-7,9,11H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile?
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile has a molecular weight of 269.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 133324355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).