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

C20H16FNO — CID 141286071

IUPAC2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline
SMILESC=Cc1c(C2CC2)nc2ccccc2c1Oc1ccc(F)cc1
InChIInChI=1S/C20H16FNO/c1-2-16-19(13-7-8-13)22-18-6-4-3-5-17(18)20(16)23-15-11-9-14(21)10-12-15/h2-6,9-13H,1,7-8H2
InChIKeyOLDMHPGBVZPFEB-UHFFFAOYSA-N
MW305.35 g/mol
LogP5.69
Rot. Bonds4

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

2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline (PubChem CID 141286071) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline.

Molecular Properties

Compound Name2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline
PubChem CID141286071
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline
SMILESC=Cc1c(C2CC2)nc2ccccc2c1Oc1ccc(F)cc1
InChIInChI=1S/C20H16FNO/c1-2-16-19(13-7-8-13)22-18-6-4-3-5-17(18)20(16)23-15-11-9-14(21)10-12-15/h2-6,9-13H,1,7-8H2
InChIKeyOLDMHPGBVZPFEB-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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Related Compounds

2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline
CID 141286092
2-cyclopropyl-3-ethenyl-4,6,7-triphenoxyquinoline
CID 141286089
2-cyclopropyl-3-ethenyl-5,6-difluoro-4-phenoxyquinoline
CID 141286091
2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
CID 123797068
(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-ol
CID 15480490
(E)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-1-ene-3,5-diol
CID 22412416
2-cyclopropyl-3-(diethoxyphosphorylmethyl)-4-(4-fluorophenyl)quinoline
CID 46897065
2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207
ethyl (Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 97041538
ethyl (Z,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate
CID 97041195
(Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 100942119
(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 6366718

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline?
The IUPAC name of 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline (CID 141286071) is 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline.
What is the SMILES notation for 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline?
The canonical SMILES for 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline is C=Cc1c(C2CC2)nc2ccccc2c1Oc1ccc(F)cc1.
What is the InChIKey of 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline?
The InChIKey is OLDMHPGBVZPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO/c1-2-16-19(13-7-8-13)22-18-6-4-3-5-17(18)20(16)23-15-11-9-14(21)10-12-15/h2-6,9-13H,1,7-8H2.
What are the key properties of 2-cyclopropyl-3-ethenyl-4-(4-fluorophenoxy)quinoline?
2-cyclopropyl-3-ethenyl-4-(4-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-(4-fluorophenoxy)quinoline is sourced from PubChem (CID 141286071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).