3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid

C19H17NO3 — CID 137137060

IUPAC3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid
SMILESCc1cc(-c2cccc3ncccc23)cc(CCC(=O)O)c1O
InChIInChI=1S/C19H17NO3/c1-12-10-14(11-13(19(12)23)7-8-18(21)22)15-4-2-6-17-16(15)5-3-9-20-17/h2-6,9-11,23H,7-8H2,1H3,(H,21,22)
InChIKeyIQDUSNYROXLGNI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid

3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid (PubChem CID 137137060) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid
PubChem CID137137060
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid
SMILESCc1cc(-c2cccc3ncccc23)cc(CCC(=O)O)c1O
InChIInChI=1S/C19H17NO3/c1-12-10-14(11-13(19(12)23)7-8-18(21)22)15-4-2-6-17-16(15)5-3-9-20-17/h2-6,9-11,23H,7-8H2,1H3,(H,21,22)
InChIKeyIQDUSNYROXLGNI-UHFFFAOYSA-N
XLogP3.93
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid?
The IUPAC name of 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid (CID 137137060) is 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid?
The canonical SMILES for 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid is Cc1cc(-c2cccc3ncccc23)cc(CCC(=O)O)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid?
The InChIKey is IQDUSNYROXLGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-10-14(11-13(19(12)23)7-8-18(21)22)15-4-2-6-17-16(15)5-3-9-20-17/h2-6,9-11,23H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid?
3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid is sourced from PubChem (CID 137137060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).