2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid

C11H11NO3 — CID 59398387

IUPAC2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C11H11NO3/c13-10-4-3-8-2-1-7(6-11(14)15)5-9(8)12-10/h1-2,5H,3-4,6H2,(H,12,13)(H,14,15)
InChIKeyBFABHUXPIPMQFN-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.20
Rot. Bonds2

About 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid

2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid (PubChem CID 59398387) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
PubChem CID59398387
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C11H11NO3/c13-10-4-3-8-2-1-7(6-11(14)15)5-9(8)12-10/h1-2,5H,3-4,6H2,(H,12,13)(H,14,15)
InChIKeyBFABHUXPIPMQFN-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
7-(isocyanatomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117290752
7-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one;5,5-dimethylhexanoic acid;sulfanol
CID 170973995
7-[2-(1-aminocyclopropyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 105488328
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
CID 82480198
1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117435901
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
2-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 114939875
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid (CID 59398387) is 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid is O=C(O)Cc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid?
The InChIKey is BFABHUXPIPMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-4-3-8-2-1-7(6-11(14)15)5-9(8)12-10/h1-2,5H,3-4,6H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid?
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid is sourced from PubChem (CID 59398387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).