2-quinolin-4-ylpropanoic acid

C12H11NO2 — CID 127018626

IUPAC2-quinolin-4-ylpropanoic acid
SMILESCC(C(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(12(14)15)9-6-7-13-11-5-3-2-4-10(9)11/h2-8H,1H3,(H,14,15)
InChIKeyDLNQUZAJDUWMEB-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.42
Rot. Bonds2

About 2-quinolin-4-ylpropanoic acid

2-quinolin-4-ylpropanoic acid (PubChem CID 127018626) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-quinolin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-quinolin-4-ylpropanoic acid
PubChem CID127018626
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name2-quinolin-4-ylpropanoic acid
SMILESCC(C(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(12(14)15)9-6-7-13-11-5-3-2-4-10(9)11/h2-8H,1H3,(H,14,15)
InChIKeyDLNQUZAJDUWMEB-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 160608048
CID 160608048
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
2-quinolin-4-ylpropanal
CID 54154941
2-(1-methylisoquinolin-5-yl)propanoic acid
CID 58093528
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
3-quinolin-4-ylpentan-2-one
CID 63196425
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
CID 86333572
3-acetamido-3-quinolin-4-ylpropanoic acid
CID 63868077
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
1-quinolin-4-ylpropane-1-sulfonic acid
CID 90989010
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-ylpropanoic acid?
The IUPAC name of 2-quinolin-4-ylpropanoic acid (CID 127018626) is 2-quinolin-4-ylpropanoic acid.
What is the SMILES notation for 2-quinolin-4-ylpropanoic acid?
The canonical SMILES for 2-quinolin-4-ylpropanoic acid is CC(C(=O)O)c1ccnc2ccccc12.
What is the InChIKey of 2-quinolin-4-ylpropanoic acid?
The InChIKey is DLNQUZAJDUWMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(12(14)15)9-6-7-13-11-5-3-2-4-10(9)11/h2-8H,1H3,(H,14,15).
What are the key properties of 2-quinolin-4-ylpropanoic acid?
2-quinolin-4-ylpropanoic acid has a molecular weight of 201.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-ylpropanoic acid is sourced from PubChem (CID 127018626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).