3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid

C16H18N2O5 — CID 71740510

IUPAC3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
SMILESCC(C)NC(=O)c1c(O)c2ccccc2n(CCC(=O)O)c1=O
InChIInChI=1S/C16H18N2O5/c1-9(2)17-15(22)13-14(21)10-5-3-4-6-11(10)18(16(13)23)8-7-12(19)20/h3-6,9,21H,7-8H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyUYESNYDUHMDDPY-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.32
Rot. Bonds5

About 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid

3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid (PubChem CID 71740510) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
PubChem CID71740510
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
SMILESCC(C)NC(=O)c1c(O)c2ccccc2n(CCC(=O)O)c1=O
InChIInChI=1S/C16H18N2O5/c1-9(2)17-15(22)13-14(21)10-5-3-4-6-11(10)18(16(13)23)8-7-12(19)20/h3-6,9,21H,7-8H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyUYESNYDUHMDDPY-UHFFFAOYSA-N
XLogP1.32
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanoethyl)-4-hydroxy-2-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 99806670
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
CID 54676603
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
2-[[1-(2-cyclohexylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685207
2-[[1-(2-cyclopropylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685224
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid?
The IUPAC name of 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid (CID 71740510) is 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid is CC(C)NC(=O)c1c(O)c2ccccc2n(CCC(=O)O)c1=O.
What is the InChIKey of 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid?
The InChIKey is UYESNYDUHMDDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9(2)17-15(22)13-14(21)10-5-3-4-6-11(10)18(16(13)23)8-7-12(19)20/h3-6,9,21H,7-8H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid?
3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid is sourced from PubChem (CID 71740510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).