4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline

C20H12ClFN2 — CID 139651657

IUPAC4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline
SMILESFc1ccc2nc(-c3ccccc3)c(-c3ccncc3)c(Cl)c2c1
InChIInChI=1S/C20H12ClFN2/c21-19-16-12-15(22)6-7-17(16)24-20(14-4-2-1-3-5-14)18(19)13-8-10-23-11-9-13/h1-12H
InChIKeyZUPICMDEUZFHMU-UHFFFAOYSA-N
MW334.78 g/mol
LogP5.76
Rot. Bonds2

About 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline

4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline (PubChem CID 139651657) has the molecular formula C20H12ClFN2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline
PubChem CID139651657
Molecular FormulaC20H12ClFN2
Molecular Weight334.78 g/mol
Exact Mass334.07
IUPAC Name4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline
SMILESFc1ccc2nc(-c3ccccc3)c(-c3ccncc3)c(Cl)c2c1
InChIInChI=1S/C20H12ClFN2/c21-19-16-12-15(22)6-7-17(16)24-20(14-4-2-1-3-5-14)18(19)13-8-10-23-11-9-13/h1-12H
InChIKeyZUPICMDEUZFHMU-UHFFFAOYSA-N
XLogP5.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.78
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylquinoline
CID 139651658
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662
4-methoxy-2-phenyl-3-pyridin-4-ylquinoline
CID 139651635
3-chloro-2,4-diphenylquinoline
CID 10781654
2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729474
N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide
CID 166442185
CID 172837950
CID 172837950
6-fluoro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline
CID 171483329
6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729476
(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine
CID 134427619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline?
The IUPAC name of 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline (CID 139651657) is 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline.
What is the SMILES notation for 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline?
The canonical SMILES for 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline is Fc1ccc2nc(-c3ccccc3)c(-c3ccncc3)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline?
The InChIKey is ZUPICMDEUZFHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2/c21-19-16-12-15(22)6-7-17(16)24-20(14-4-2-1-3-5-14)18(19)13-8-10-23-11-9-13/h1-12H.
What are the key properties of 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline?
4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline has a molecular weight of 334.78 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline is sourced from PubChem (CID 139651657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).