8-(3,5-difluorophenyl)quinoline-7-carbaldehyde

C16H9F2NO — CID 86709597

IUPAC8-(3,5-difluorophenyl)quinoline-7-carbaldehyde
SMILESO=Cc1ccc2cccnc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H9F2NO/c17-13-6-12(7-14(18)8-13)15-11(9-20)4-3-10-2-1-5-19-16(10)15/h1-9H
InChIKeyMSOQCHAWRPXZKB-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.99
Rot. Bonds2

About 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde

8-(3,5-difluorophenyl)quinoline-7-carbaldehyde (PubChem CID 86709597) has the molecular formula C16H9F2NO and a molecular weight of 269.25 g/mol. Its IUPAC name is 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde.

Molecular Properties

Compound Name8-(3,5-difluorophenyl)quinoline-7-carbaldehyde
PubChem CID86709597
Molecular FormulaC16H9F2NO
Molecular Weight269.25 g/mol
Exact Mass269.07
IUPAC Name8-(3,5-difluorophenyl)quinoline-7-carbaldehyde
SMILESO=Cc1ccc2cccnc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H9F2NO/c17-13-6-12(7-14(18)8-13)15-11(9-20)4-3-10-2-1-5-19-16(10)15/h1-9H
InChIKeyMSOQCHAWRPXZKB-UHFFFAOYSA-N
XLogP3.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[4-(3,5-difluorophenyl)-6-[4-(1,10-phenanthrolin-3-yl)phenyl]-1λ3,3λ3,5λ3-triiodacyclohexa-1,3,5-trien-2-yl]phenyl]-1,10-phenanthroline
CID 163637292
quinoline-6,8-dicarbaldehyde
CID 119087265
1,6-naphthyridine-8-carbaldehyde
CID 53421929
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
4-fluoro-3-quinolin-7-ylbenzaldehyde
CID 81224437
6-nitrosoquinoline-7-carbaldehyde
CID 142887262

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde?
The IUPAC name of 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde (CID 86709597) is 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde.
What is the SMILES notation for 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde?
The canonical SMILES for 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde is O=Cc1ccc2cccnc2c1-c1cc(F)cc(F)c1.
What is the InChIKey of 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde?
The InChIKey is MSOQCHAWRPXZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO/c17-13-6-12(7-14(18)8-13)15-11(9-20)4-3-10-2-1-5-19-16(10)15/h1-9H.
What are the key properties of 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde?
8-(3,5-difluorophenyl)quinoline-7-carbaldehyde has a molecular weight of 269.25 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluorophenyl)quinoline-7-carbaldehyde is sourced from PubChem (CID 86709597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).