4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile

C13H10F3N3O — CID 62189546

IUPAC4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C13H10F3N3O/c1-2-18-11-8(6-17)7-19-12-9(11)4-3-5-10(12)20-13(14,15)16/h3-5,7H,2H2,1H3,(H,18,19)
InChIKeyYCRYFFNOATYUFY-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.44
Rot. Bonds3

About 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile

4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile (PubChem CID 62189546) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
PubChem CID62189546
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C13H10F3N3O/c1-2-18-11-8(6-17)7-19-12-9(11)4-3-5-10(12)20-13(14,15)16/h3-5,7H,2H2,1H3,(H,18,19)
InChIKeyYCRYFFNOATYUFY-UHFFFAOYSA-N
XLogP3.44
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62188170
8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
3-iodo-N-(2-methylphenyl)-8-(trifluoromethoxy)quinolin-4-amine
CID 10917242
5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
CID 62188504
6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile
CID 107623067
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile (CID 62189546) is 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile is CCNc1c(C#N)cnc2c(OC(F)(F)F)cccc12.
What is the InChIKey of 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile?
The InChIKey is YCRYFFNOATYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-2-18-11-8(6-17)7-19-12-9(11)4-3-5-10(12)20-13(14,15)16/h3-5,7H,2H2,1H3,(H,18,19).
What are the key properties of 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile?
4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile has a molecular weight of 281.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 62189546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).