3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid

C13H13NO4 — CID 68631645

IUPAC3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
SMILESCOc1ccc2ccc(=O)n(CCC(=O)O)c2c1
InChIInChI=1S/C13H13NO4/c1-18-10-4-2-9-3-5-12(15)14(11(9)8-10)7-6-13(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyRHSXOCXGSQWDQA-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.48
Rot. Bonds4

About 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid

3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid (PubChem CID 68631645) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
PubChem CID68631645
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
SMILESCOc1ccc2ccc(=O)n(CCC(=O)O)c2c1
InChIInChI=1S/C13H13NO4/c1-18-10-4-2-9-3-5-12(15)14(11(9)8-10)7-6-13(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyRHSXOCXGSQWDQA-UHFFFAOYSA-N
XLogP1.48
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate
CID 67130938
3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
CID 91673181
7-(4-chlorobutoxy)-1-(4-chlorobutyl)quinolin-2-one
CID 125451300
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
3-[1-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 894283
3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 43286918
4-(5-methoxy-2-methylbenzimidazol-1-yl)butanoic acid
CID 83418426
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 79366215
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid (CID 68631645) is 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid is COc1ccc2ccc(=O)n(CCC(=O)O)c2c1.
What is the InChIKey of 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid?
The InChIKey is RHSXOCXGSQWDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-18-10-4-2-9-3-5-12(15)14(11(9)8-10)7-6-13(16)17/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid?
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 68631645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).