5-methyl-2-(quinolin-2-ylmethyl)benzoic acid

C18H15NO2 — CID 81111502

IUPAC5-methyl-2-(quinolin-2-ylmethyl)benzoic acid
SMILESCc1ccc(Cc2ccc3ccccc3n2)c(C(=O)O)c1
InChIInChI=1S/C18H15NO2/c1-12-6-7-14(16(10-12)18(20)21)11-15-9-8-13-4-2-3-5-17(13)19-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyUPTSRJXICPKXIG-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.83
Rot. Bonds3

About 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid

5-methyl-2-(quinolin-2-ylmethyl)benzoic acid (PubChem CID 81111502) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(quinolin-2-ylmethyl)benzoic acid
PubChem CID81111502
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name5-methyl-2-(quinolin-2-ylmethyl)benzoic acid
SMILESCc1ccc(Cc2ccc3ccccc3n2)c(C(=O)O)c1
InChIInChI=1S/C18H15NO2/c1-12-6-7-14(16(10-12)18(20)21)11-15-9-8-13-4-2-3-5-17(13)19-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyUPTSRJXICPKXIG-UHFFFAOYSA-N
XLogP3.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
CID 62515015
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404
2-[(3-methylphenyl)methyl]quinoline
CID 91665483
3-fluoro-4-(quinolin-2-ylmethyl)phenol
CID 83129838
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
2-(chloromethyl)-5-methylbenzoic acid
CID 91883401
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid?
The IUPAC name of 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid (CID 81111502) is 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid.
What is the SMILES notation for 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid?
The canonical SMILES for 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid is Cc1ccc(Cc2ccc3ccccc3n2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid?
The InChIKey is UPTSRJXICPKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-6-7-14(16(10-12)18(20)21)11-15-9-8-13-4-2-3-5-17(13)19-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid?
5-methyl-2-(quinolin-2-ylmethyl)benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(quinolin-2-ylmethyl)benzoic acid is sourced from PubChem (CID 81111502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).