6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde

C13H11F3N2O2 — CID 86669821

IUPAC6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde
SMILESCOc1ccc2nc(NCC(F)(F)F)c(C=O)cc2c1
InChIInChI=1S/C13H11F3N2O2/c1-20-10-2-3-11-8(5-10)4-9(6-19)12(18-11)17-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyJHGTUQCBTCXURT-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.03
Rot. Bonds4

About 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde

6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde (PubChem CID 86669821) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde
PubChem CID86669821
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde
SMILESCOc1ccc2nc(NCC(F)(F)F)c(C=O)cc2c1
InChIInChI=1S/C13H11F3N2O2/c1-20-10-2-3-11-8(5-10)4-9(6-19)12(18-11)17-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyJHGTUQCBTCXURT-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
CID 86669817
6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
CID 88861626
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
2-(3-formyl-6-methoxyquinolin-2-yl)sulfanylacetic acid
CID 3731867
6-methoxy-N,3-dipropylquinolin-2-amine
CID 63523658
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde
CID 802094
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 44754453
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzaldehyde
CID 115942150

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde?
The IUPAC name of 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde (CID 86669821) is 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde?
The canonical SMILES for 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde is COc1ccc2nc(NCC(F)(F)F)c(C=O)cc2c1.
What is the InChIKey of 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde?
The InChIKey is JHGTUQCBTCXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-20-10-2-3-11-8(5-10)4-9(6-19)12(18-11)17-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde?
6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde has a molecular weight of 284.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde is sourced from PubChem (CID 86669821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).