[6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate

C29H20F2N2O3 — CID 122196415

IUPAC[6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C29H20F2N2O3/c1-18(34)36-28-15-14-24(29(33-28)25-13-9-21(30)16-26(25)31)19-7-11-23(12-8-19)35-17-22-10-6-20-4-2-3-5-27(20)32-22/h2-16H,17H2,1H3
InChIKeyPXRQOCXSXWBMNX-UHFFFAOYSA-N
MW482.49 g/mol
LogP6.75
Rot. Bonds6

About [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate

[6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate (PubChem CID 122196415) has the molecular formula C29H20F2N2O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate.

Molecular Properties

Compound Name[6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate
PubChem CID122196415
Molecular FormulaC29H20F2N2O3
Molecular Weight482.49 g/mol
Exact Mass482.14
IUPAC Name[6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C29H20F2N2O3/c1-18(34)36-28-15-14-24(29(33-28)25-13-9-21(30)16-26(25)31)19-7-11-23(12-8-19)35-17-22-10-6-20-4-2-3-5-27(20)32-22/h2-16H,17H2,1H3
InChIKeyPXRQOCXSXWBMNX-UHFFFAOYSA-N
XLogP6.75
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate with MolForge

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Related Compounds

4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol
CID 67026414
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-2-amine
CID 122387844
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
CID 68576822
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
[5-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-3-yl] propanoate
CID 67595660
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
CID 162335511
CID 162335511
2-[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]propanethioic S-acid
CID 54498931

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
The IUPAC name of [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate (CID 122196415) is [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate.
What is the SMILES notation for [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
The canonical SMILES for [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate is CC(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
The InChIKey is PXRQOCXSXWBMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F2N2O3/c1-18(34)36-28-15-14-24(29(33-28)25-13-9-21(30)16-26(25)31)19-7-11-23(12-8-19)35-17-22-10-6-20-4-2-3-5-27(20)32-22/h2-16H,17H2,1H3.
What are the key properties of [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
[6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate has a molecular weight of 482.49 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate is sourced from PubChem (CID 122196415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).