2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline

C20H16FNO — CID 141286092

IUPAC2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline
SMILESC=Cc1c(C2CC2)nc2ccccc2c1Oc1cccc(F)c1
InChIInChI=1S/C20H16FNO/c1-2-16-19(13-10-11-13)22-18-9-4-3-8-17(18)20(16)23-15-7-5-6-14(21)12-15/h2-9,12-13H,1,10-11H2
InChIKeyOVZCBJIPRMENPU-UHFFFAOYSA-N
MW305.35 g/mol
LogP5.69
Rot. Bonds4

About 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline

2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline (PubChem CID 141286092) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline.

Molecular Properties

Compound Name2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline
PubChem CID141286092
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline
SMILESC=Cc1c(C2CC2)nc2ccccc2c1Oc1cccc(F)c1
InChIInChI=1S/C20H16FNO/c1-2-16-19(13-10-11-13)22-18-9-4-3-8-17(18)20(16)23-15-7-5-6-14(21)12-15/h2-9,12-13H,1,10-11H2
InChIKeyOVZCBJIPRMENPU-UHFFFAOYSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.35
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline?
The IUPAC name of 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline (CID 141286092) is 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline.
What is the SMILES notation for 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline?
The canonical SMILES for 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline is C=Cc1c(C2CC2)nc2ccccc2c1Oc1cccc(F)c1.
What is the InChIKey of 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline?
The InChIKey is OVZCBJIPRMENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO/c1-2-16-19(13-10-11-13)22-18-9-4-3-8-17(18)20(16)23-15-7-5-6-14(21)12-15/h2-9,12-13H,1,10-11H2.
What are the key properties of 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline?
2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline has a molecular weight of 305.35 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline is sourced from PubChem (CID 141286092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).