2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline

C30H23FN2O2 — CID 67124567

IUPAC2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
SMILESC=C(c1ccc(OCc2ccc3ccccc3n2)cc1)C(Oc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C30H23FN2O2/c1-21(30(24-8-13-25(31)14-9-24)35-28-6-4-18-32-19-28)22-11-16-27(17-12-22)34-20-26-15-10-23-5-2-3-7-29(23)33-26/h2-19,30H,1,20H2
InChIKeyIGWVEVCZRYASNQ-UHFFFAOYSA-N
MW462.52 g/mol
LogP7.18
Rot. Bonds8

About 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline

2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline (PubChem CID 67124567) has the molecular formula C30H23FN2O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
PubChem CID67124567
Molecular FormulaC30H23FN2O2
Molecular Weight462.52 g/mol
Exact Mass462.17
IUPAC Name2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
SMILESC=C(c1ccc(OCc2ccc3ccccc3n2)cc1)C(Oc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C30H23FN2O2/c1-21(30(24-8-13-25(31)14-9-24)35-28-6-4-18-32-19-28)22-11-16-27(17-12-22)34-20-26-15-10-23-5-2-3-7-29(23)33-26/h2-19,30H,1,20H2
InChIKeyIGWVEVCZRYASNQ-UHFFFAOYSA-N
XLogP7.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[3-(4-chlorophenyl)-3-pyrazol-1-ylprop-1-en-2-yl]phenoxy]methyl]quinoline
CID 123622267
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol
CID 67026414
6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-2-amine
CID 122387844
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol
CID 166010606
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
CID 10092565
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
3-[4-(4-fluorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid
CID 19745865
(3S,4R)-3-pyridin-3-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 18647516

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline (CID 67124567) is 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline is C=C(c1ccc(OCc2ccc3ccccc3n2)cc1)C(Oc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
The InChIKey is IGWVEVCZRYASNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN2O2/c1-21(30(24-8-13-25(31)14-9-24)35-28-6-4-18-32-19-28)22-11-16-27(17-12-22)34-20-26-15-10-23-5-2-3-7-29(23)33-26/h2-19,30H,1,20H2.
What are the key properties of 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline has a molecular weight of 462.52 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(4-fluorophenyl)-3-pyridin-3-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 67124567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).