2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid

C12H13NO4 — CID 83757667

IUPAC2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid
SMILESCOc1cccc2c1N(CC(=O)O)C(=O)CC2
InChIInChI=1S/C12H13NO4/c1-17-9-4-2-3-8-5-6-10(14)13(12(8)9)7-11(15)16/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeyGAIMUILMBDWYGP-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.06
Rot. Bonds3

About 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid

2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid (PubChem CID 83757667) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid
PubChem CID83757667
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid
SMILESCOc1cccc2c1N(CC(=O)O)C(=O)CC2
InChIInChI=1S/C12H13NO4/c1-17-9-4-2-3-8-5-6-10(14)13(12(8)9)7-11(15)16/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeyGAIMUILMBDWYGP-UHFFFAOYSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid
CID 117209716
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one
CID 171132610
N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126420480
butanoyl butanoate;8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158993814
2-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)acetic acid
CID 70231632
1-(7-methoxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 138549870
1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
CID 107467220
N-benzyl-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 171132612
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82303598

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid?
The IUPAC name of 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid (CID 83757667) is 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid is COc1cccc2c1N(CC(=O)O)C(=O)CC2.
What is the InChIKey of 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid?
The InChIKey is GAIMUILMBDWYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-17-9-4-2-3-8-5-6-10(14)13(12(8)9)7-11(15)16/h2-4H,5-7H2,1H3,(H,15,16).
What are the key properties of 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid?
2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid is sourced from PubChem (CID 83757667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).