2-(5-quinolin-5-ylfuran-2-yl)acetic acid

C15H11NO3 — CID 171059952

IUPAC2-(5-quinolin-5-ylfuran-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc3ncccc23)o1
InChIInChI=1S/C15H11NO3/c17-15(18)9-10-6-7-14(19-10)12-3-1-5-13-11(12)4-2-8-16-13/h1-8H,9H2,(H,17,18)
InChIKeyZTMZZFYMLLWFSX-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.12
Rot. Bonds3

About 2-(5-quinolin-5-ylfuran-2-yl)acetic acid

2-(5-quinolin-5-ylfuran-2-yl)acetic acid (PubChem CID 171059952) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(5-quinolin-5-ylfuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-quinolin-5-ylfuran-2-yl)acetic acid
PubChem CID171059952
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(5-quinolin-5-ylfuran-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc3ncccc23)o1
InChIInChI=1S/C15H11NO3/c17-15(18)9-10-6-7-14(19-10)12-3-1-5-13-11(12)4-2-8-16-13/h1-8H,9H2,(H,17,18)
InChIKeyZTMZZFYMLLWFSX-UHFFFAOYSA-N
XLogP3.12
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62876224
1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine
CID 55097970
3-quinolin-5-ylpropanoic acid
CID 81224223
5-(furan-2-yl)quinoline
CID 135387674
(2-quinolin-5-ylphenyl)methanol
CID 172649381
N-[1-(5-quinolin-5-ylfuran-2-yl)ethyl]propan-1-amine
CID 62500349
N,N-dimethyl-2-(4-quinolin-5-ylphenyl)acetamide
CID 119074954
3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid
CID 137137060
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
CID 116785285
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
CID 175088616
CID 175088616
3-[5-(carboxymethyl)furan-2-yl]benzoic acid
CID 84756413

Frequently Asked Questions

What is the IUPAC name of 2-(5-quinolin-5-ylfuran-2-yl)acetic acid?
The IUPAC name of 2-(5-quinolin-5-ylfuran-2-yl)acetic acid (CID 171059952) is 2-(5-quinolin-5-ylfuran-2-yl)acetic acid.
What is the SMILES notation for 2-(5-quinolin-5-ylfuran-2-yl)acetic acid?
The canonical SMILES for 2-(5-quinolin-5-ylfuran-2-yl)acetic acid is O=C(O)Cc1ccc(-c2cccc3ncccc23)o1.
What is the InChIKey of 2-(5-quinolin-5-ylfuran-2-yl)acetic acid?
The InChIKey is ZTMZZFYMLLWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(18)9-10-6-7-14(19-10)12-3-1-5-13-11(12)4-2-8-16-13/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(5-quinolin-5-ylfuran-2-yl)acetic acid?
2-(5-quinolin-5-ylfuran-2-yl)acetic acid has a molecular weight of 253.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-quinolin-5-ylfuran-2-yl)acetic acid is sourced from PubChem (CID 171059952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).