2-(2-methylquinolin-4-yl)acetic acid

C12H11NO2 — CID 79019861

IUPAC2-(2-methylquinolin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)c2ccccc2n1
InChIInChI=1S/C12H11NO2/c1-8-6-9(7-12(14)15)10-4-2-3-5-11(10)13-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyXHIBKFBNXAVCQV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.17
Rot. Bonds2

About 2-(2-methylquinolin-4-yl)acetic acid

2-(2-methylquinolin-4-yl)acetic acid (PubChem CID 79019861) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)acetic acid
PubChem CID79019861
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(2-methylquinolin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)c2ccccc2n1
InChIInChI=1S/C12H11NO2/c1-8-6-9(7-12(14)15)10-4-2-3-5-11(10)13-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyXHIBKFBNXAVCQV-UHFFFAOYSA-N
XLogP2.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
(2-methylquinolin-4-yl)methanethiol
CID 79885955
3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79262765
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-4-yl)acetic acid?
The IUPAC name of 2-(2-methylquinolin-4-yl)acetic acid (CID 79019861) is 2-(2-methylquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(2-methylquinolin-4-yl)acetic acid is Cc1cc(CC(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)acetic acid?
The InChIKey is XHIBKFBNXAVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-6-9(7-12(14)15)10-4-2-3-5-11(10)13-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-(2-methylquinolin-4-yl)acetic acid?
2-(2-methylquinolin-4-yl)acetic acid has a molecular weight of 201.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-4-yl)acetic acid is sourced from PubChem (CID 79019861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).