acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid

C26H24N2O4 — CID 22616056

IUPACacetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
SMILESCC(N)=O.O=C(O)c1cccc(Cc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C24H19NO3.C2H5NO/c26-24(27)20-8-3-5-17(14-20)13-18-6-4-9-22(15-18)28-16-21-12-11-19-7-1-2-10-23(19)25-21;1-2(3)4/h1-12,14-15H,13,16H2,(H,26,27);1H3,(H2,3,4)
InChIKeyMLKRPQIQKHYORA-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.59
Rot. Bonds6

About acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid

acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid (PubChem CID 22616056) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid.

Molecular Properties

Compound Nameacetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
PubChem CID22616056
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameacetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
SMILESCC(N)=O.O=C(O)c1cccc(Cc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C24H19NO3.C2H5NO/c26-24(27)20-8-3-5-17(14-20)13-18-6-4-9-22(15-18)28-16-21-12-11-19-7-1-2-10-23(19)25-21;1-2(3)4/h1-12,14-15H,13,16H2,(H,26,27);1H3,(H2,3,4)
InChIKeyMLKRPQIQKHYORA-UHFFFAOYSA-N
XLogP4.59
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241520
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
(E)-6-[3-(quinolin-2-ylmethoxy)phenyl]hex-2-enoic acid
CID 139921752
2-[3-[3-(quinolin-2-ylmethoxy)phenyl]propylsulfonyl]acetic acid
CID 139921957
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
methanesulfonic acid;[3-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]methanol
CID 86743875

Frequently Asked Questions

What is the IUPAC name of acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid?
The IUPAC name of acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid (CID 22616056) is acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid.
What is the SMILES notation for acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid?
The canonical SMILES for acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid is CC(N)=O.O=C(O)c1cccc(Cc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid?
The InChIKey is MLKRPQIQKHYORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3.C2H5NO/c26-24(27)20-8-3-5-17(14-20)13-18-6-4-9-22(15-18)28-16-21-12-11-19-7-1-2-10-23(19)25-21;1-2(3)4/h1-12,14-15H,13,16H2,(H,26,27);1H3,(H2,3,4).
What are the key properties of acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid?
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid has a molecular weight of 428.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid is sourced from PubChem (CID 22616056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).