6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde

C12H9F3N2O2 — CID 89105796

IUPAC6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
SMILESCOc1c(N)c(C=O)cc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C12H9F3N2O2/c1-19-11-7-2-3-9(12(13,14)15)17-8(7)4-6(5-18)10(11)16/h2-5H,16H2,1H3
InChIKeyKWXRHDCWFMEHNN-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.66
Rot. Bonds2

About 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde

6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde (PubChem CID 89105796) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
PubChem CID89105796
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
SMILESCOc1c(N)c(C=O)cc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C12H9F3N2O2/c1-19-11-7-2-3-9(12(13,14)15)17-8(7)4-6(5-18)10(11)16/h2-5H,16H2,1H3
InChIKeyKWXRHDCWFMEHNN-UHFFFAOYSA-N
XLogP2.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde?
The IUPAC name of 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde (CID 89105796) is 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde.
What is the SMILES notation for 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde?
The canonical SMILES for 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde is COc1c(N)c(C=O)cc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde?
The InChIKey is KWXRHDCWFMEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-19-11-7-2-3-9(12(13,14)15)17-8(7)4-6(5-18)10(11)16/h2-5H,16H2,1H3.
What are the key properties of 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde?
6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde has a molecular weight of 270.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde is sourced from PubChem (CID 89105796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).