3-(3-methylquinolin-6-yl)propanoic acid

C13H13NO2 — CID 83886586

IUPAC3-(3-methylquinolin-6-yl)propanoic acid
SMILESCc1cnc2ccc(CCC(=O)O)cc2c1
InChIInChI=1S/C13H13NO2/c1-9-6-11-7-10(3-5-13(15)16)2-4-12(11)14-8-9/h2,4,6-8H,3,5H2,1H3,(H,15,16)
InChIKeyVSFTYXCJNGAPTB-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.56
Rot. Bonds3

About 3-(3-methylquinolin-6-yl)propanoic acid

3-(3-methylquinolin-6-yl)propanoic acid (PubChem CID 83886586) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(3-methylquinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methylquinolin-6-yl)propanoic acid
PubChem CID83886586
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(3-methylquinolin-6-yl)propanoic acid
SMILESCc1cnc2ccc(CCC(=O)O)cc2c1
InChIInChI=1S/C13H13NO2/c1-9-6-11-7-10(3-5-13(15)16)2-4-12(11)14-8-9/h2,4,6-8H,3,5H2,1H3,(H,15,16)
InChIKeyVSFTYXCJNGAPTB-UHFFFAOYSA-N
XLogP2.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-chloroethyl)-3-methylquinoline
CID 116997430
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332
4-(3-methylquinolin-6-yl)butan-2-amine
CID 116997396
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477
3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline
CID 143057310
1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
CID 158164435
[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol
CID 116997484
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-(3-methyl-2,1-benzoxazol-5-yl)propanoic acid
CID 105457077

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylquinolin-6-yl)propanoic acid?
The IUPAC name of 3-(3-methylquinolin-6-yl)propanoic acid (CID 83886586) is 3-(3-methylquinolin-6-yl)propanoic acid.
What is the SMILES notation for 3-(3-methylquinolin-6-yl)propanoic acid?
The canonical SMILES for 3-(3-methylquinolin-6-yl)propanoic acid is Cc1cnc2ccc(CCC(=O)O)cc2c1.
What is the InChIKey of 3-(3-methylquinolin-6-yl)propanoic acid?
The InChIKey is VSFTYXCJNGAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-6-11-7-10(3-5-13(15)16)2-4-12(11)14-8-9/h2,4,6-8H,3,5H2,1H3,(H,15,16).
What are the key properties of 3-(3-methylquinolin-6-yl)propanoic acid?
3-(3-methylquinolin-6-yl)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylquinolin-6-yl)propanoic acid is sourced from PubChem (CID 83886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).