3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid

C13H15NO3 — CID 82116153

IUPAC3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
SMILESCN1C(=O)CCc2cc(CCC(=O)O)ccc21
InChIInChI=1S/C13H15NO3/c1-14-11-5-2-9(3-7-13(16)17)8-10(11)4-6-12(14)15/h2,5,8H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyCNCQGSPRRPOXHX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.61
Rot. Bonds3

About 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid

3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid (PubChem CID 82116153) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
PubChem CID82116153
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
SMILESCN1C(=O)CCc2cc(CCC(=O)O)ccc21
InChIInChI=1S/C13H15NO3/c1-14-11-5-2-9(3-7-13(16)17)8-10(11)4-6-12(14)15/h2,5,8H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyCNCQGSPRRPOXHX-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106687
3,3-dimethyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106686
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
The IUPAC name of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid (CID 82116153) is 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid.
What is the SMILES notation for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
The canonical SMILES for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid is CN1C(=O)CCc2cc(CCC(=O)O)ccc21.
What is the InChIKey of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
The InChIKey is CNCQGSPRRPOXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14-11-5-2-9(3-7-13(16)17)8-10(11)4-6-12(14)15/h2,5,8H,3-4,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid is sourced from PubChem (CID 82116153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).