4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline

C18H14ClF2N — CID 91215685

IUPAC4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline
SMILESCCc1ccc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)cc1
InChIInChI=1S/C18H14ClF2N/c1-3-11-4-6-12(7-5-11)18-10(2)17(19)16-14(21)8-13(20)9-15(16)22-18/h4-9H,3H2,1-2H3
InChIKeyGTHICPZLAGOHCY-UHFFFAOYSA-N
MW317.77 g/mol
LogP5.70
Rot. Bonds2

About 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline

4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline (PubChem CID 91215685) has the molecular formula C18H14ClF2N and a molecular weight of 317.77 g/mol. Its IUPAC name is 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline
PubChem CID91215685
Molecular FormulaC18H14ClF2N
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline
SMILESCCc1ccc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)cc1
InChIInChI=1S/C18H14ClF2N/c1-3-11-4-6-12(7-5-11)18-10(2)17(19)16-14(21)8-13(20)9-15(16)22-18/h4-9H,3H2,1-2H3
InChIKeyGTHICPZLAGOHCY-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.77
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5,7-difluoro-3-methyl-2-naphthalen-1-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 157333127
4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
CID 59631080
2-benzyl-4-chloro-5,7-difluoro-3-methylquinoline
CID 59631490
1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 67508116
4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline
CID 159918638
4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 158795035
4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline
CID 161493507
4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 158252434
4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline;(5-methyl-2-methylsulfanylphenyl)boronic acid
CID 158941427
N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide
CID 91448137
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144
4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline?
The IUPAC name of 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline (CID 91215685) is 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline.
What is the SMILES notation for 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline?
The canonical SMILES for 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline is CCc1ccc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)cc1.
What is the InChIKey of 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline?
The InChIKey is GTHICPZLAGOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N/c1-3-11-4-6-12(7-5-11)18-10(2)17(19)16-14(21)8-13(20)9-15(16)22-18/h4-9H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline?
4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline has a molecular weight of 317.77 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline is sourced from PubChem (CID 91215685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).