quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate

C27H19FN2O3 — CID 68576822

IUPACquinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
SMILESO=C(OCc1ccc2ccccc2n1)c1ccc(OCc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C27H19FN2O3/c28-24-15-22(32-16-20-11-9-18-5-1-3-7-25(18)29-20)13-14-23(24)27(31)33-17-21-12-10-19-6-2-4-8-26(19)30-21/h1-15H,16-17H2
InChIKeyZDARSOUZJLLUFY-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.86
Rot. Bonds6

About quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate

quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate (PubChem CID 68576822) has the molecular formula C27H19FN2O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate.

Molecular Properties

Compound Namequinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
PubChem CID68576822
Molecular FormulaC27H19FN2O3
Molecular Weight438.46 g/mol
Exact Mass438.14
IUPAC Namequinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
SMILESO=C(OCc1ccc2ccccc2n1)c1ccc(OCc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C27H19FN2O3/c28-24-15-22(32-16-20-11-9-18-5-1-3-7-25(18)29-20)13-14-23(24)27(31)33-17-21-12-10-19-6-2-4-8-26(19)30-21/h1-15H,16-17H2
InChIKeyZDARSOUZJLLUFY-UHFFFAOYSA-N
XLogP5.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
2-(fluoromethoxy)-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
CID 68577951
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-(3-phenylpentan-3-yl)-4-(quinolin-2-ylmethoxy)benzoic acid
CID 69253282
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807

Frequently Asked Questions

What is the IUPAC name of quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate?
The IUPAC name of quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate (CID 68576822) is quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate.
What is the SMILES notation for quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate?
The canonical SMILES for quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate is O=C(OCc1ccc2ccccc2n1)c1ccc(OCc2ccc3ccccc3n2)cc1F.
What is the InChIKey of quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate?
The InChIKey is ZDARSOUZJLLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O3/c28-24-15-22(32-16-20-11-9-18-5-1-3-7-25(18)29-20)13-14-23(24)27(31)33-17-21-12-10-19-6-2-4-8-26(19)30-21/h1-15H,16-17H2.
What are the key properties of quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate?
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate has a molecular weight of 438.46 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate is sourced from PubChem (CID 68576822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).