4-chloro-7-(1-phenylethoxy)quinoline

C17H14ClNO — CID 141359583

IUPAC4-chloro-7-(1-phenylethoxy)quinoline
SMILESCC(Oc1ccc2c(Cl)ccnc2c1)c1ccccc1
InChIInChI=1S/C17H14ClNO/c1-12(13-5-3-2-4-6-13)20-14-7-8-15-16(18)9-10-19-17(15)11-14/h2-12H,1H3
InChIKeyFXFRKDJALUYBNY-UHFFFAOYSA-N
MW283.76 g/mol
LogP5.03
Rot. Bonds3

About 4-chloro-7-(1-phenylethoxy)quinoline

4-chloro-7-(1-phenylethoxy)quinoline (PubChem CID 141359583) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-7-(1-phenylethoxy)quinoline.

Molecular Properties

Compound Name4-chloro-7-(1-phenylethoxy)quinoline
PubChem CID141359583
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name4-chloro-7-(1-phenylethoxy)quinoline
SMILESCC(Oc1ccc2c(Cl)ccnc2c1)c1ccccc1
InChIInChI=1S/C17H14ClNO/c1-12(13-5-3-2-4-6-13)20-14-7-8-15-16(18)9-10-19-17(15)11-14/h2-12H,1H3
InChIKeyFXFRKDJALUYBNY-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.76
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
3-chloro-4-methyl-7-(1-phenylethoxy)chromen-2-one
CID 23936745
2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid
CID 174166475
4-chloro-7-hexoxyquinoline
CID 78323998
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
4,7-dichloroquinoline
CID 6866
4-chloroquinoline;ethane
CID 91461667
4-chloro-6-phenoxyquinoline
CID 43531961
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(1-phenylethoxy)quinoline?
The IUPAC name of 4-chloro-7-(1-phenylethoxy)quinoline (CID 141359583) is 4-chloro-7-(1-phenylethoxy)quinoline.
What is the SMILES notation for 4-chloro-7-(1-phenylethoxy)quinoline?
The canonical SMILES for 4-chloro-7-(1-phenylethoxy)quinoline is CC(Oc1ccc2c(Cl)ccnc2c1)c1ccccc1.
What is the InChIKey of 4-chloro-7-(1-phenylethoxy)quinoline?
The InChIKey is FXFRKDJALUYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-12(13-5-3-2-4-6-13)20-14-7-8-15-16(18)9-10-19-17(15)11-14/h2-12H,1H3.
What are the key properties of 4-chloro-7-(1-phenylethoxy)quinoline?
4-chloro-7-(1-phenylethoxy)quinoline has a molecular weight of 283.76 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(1-phenylethoxy)quinoline is sourced from PubChem (CID 141359583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).