4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane

C17H13ClFNO — CID 166488562

IUPAC4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane
SMILESC.O=Cc1ccc2c(Cl)cc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C16H9ClFNO.CH4/c17-14-8-15(11-2-4-12(18)5-3-11)19-16-7-10(9-20)1-6-13(14)16;/h1-9H;1H4
InChIKeyLOBLNBYIWDBTIL-UHFFFAOYSA-N
MW301.75 g/mol
LogP5.14
Rot. Bonds2

About 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane

4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane (PubChem CID 166488562) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane
PubChem CID166488562
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane
SMILESC.O=Cc1ccc2c(Cl)cc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C16H9ClFNO.CH4/c17-14-8-15(11-2-4-12(18)5-3-11)19-16-7-10(9-20)1-6-13(14)16;/h1-9H;1H4
InChIKeyLOBLNBYIWDBTIL-UHFFFAOYSA-N
XLogP5.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.75
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-7-ethenylquinolin-2-yl)aniline
CID 145292607
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
CID 145292580
4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
CID 145292318
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075
2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde
CID 4915333
4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline
CID 145292266
N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine
CID 129029252
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
2,4-dichloroquinoline-6-carbaldehyde
CID 89405666
4-chloroquinoline-7-carbaldehyde;methanol
CID 166488648
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane (CID 166488562) is 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane is C.O=Cc1ccc2c(Cl)cc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane?
The InChIKey is LOBLNBYIWDBTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO.CH4/c17-14-8-15(11-2-4-12(18)5-3-11)19-16-7-10(9-20)1-6-13(14)16;/h1-9H;1H4.
What are the key properties of 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane?
4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane has a molecular weight of 301.75 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane is sourced from PubChem (CID 166488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).