8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde

C18H14F3NO — CID 162545581

IUPAC8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde
SMILESCC1CC=Cc2cc(C=O)c(-c3ccccc3C(F)(F)F)nc21
InChIInChI=1S/C18H14F3NO/c1-11-5-4-6-12-9-13(10-23)17(22-16(11)12)14-7-2-3-8-15(14)18(19,20)21/h2-4,6-11H,5H2,1H3
InChIKeyPPMKYGJIFXQPDV-UHFFFAOYSA-N
MW317.31 g/mol
LogP5.10
Rot. Bonds2

About 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde

8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde (PubChem CID 162545581) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde
PubChem CID162545581
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde
SMILESCC1CC=Cc2cc(C=O)c(-c3ccccc3C(F)(F)F)nc21
InChIInChI=1S/C18H14F3NO/c1-11-5-4-6-12-9-13(10-23)17(22-16(11)12)14-7-2-3-8-15(14)18(19,20)21/h2-4,6-11H,5H2,1H3
InChIKeyPPMKYGJIFXQPDV-UHFFFAOYSA-N
XLogP5.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde?
The IUPAC name of 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde (CID 162545581) is 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde?
The canonical SMILES for 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde is CC1CC=Cc2cc(C=O)c(-c3ccccc3C(F)(F)F)nc21.
What is the InChIKey of 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde?
The InChIKey is PPMKYGJIFXQPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c1-11-5-4-6-12-9-13(10-23)17(22-16(11)12)14-7-2-3-8-15(14)18(19,20)21/h2-4,6-11H,5H2,1H3.
What are the key properties of 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde?
8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde has a molecular weight of 317.31 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[2-(trifluoromethyl)phenyl]-7,8-dihydroquinoline-3-carbaldehyde is sourced from PubChem (CID 162545581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).