2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid

C10H9NO3 — CID 13243002

IUPAC2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESO=C1CCc2c(cccc2C(=O)O)N1
InChIInChI=1S/C10H9NO3/c12-9-5-4-6-7(10(13)14)2-1-3-8(6)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKeyORBGMTCJGXSBNO-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.27
Rot. Bonds1

About 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid

2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid (PubChem CID 13243002) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid
PubChem CID13243002
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESO=C1CCc2c(cccc2C(=O)O)N1
InChIInChI=1S/C10H9NO3/c12-9-5-4-6-7(10(13)14)2-1-3-8(6)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKeyORBGMTCJGXSBNO-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid?
The IUPAC name of 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid (CID 13243002) is 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid?
The canonical SMILES for 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid is O=C1CCc2c(cccc2C(=O)O)N1.
What is the InChIKey of 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid?
The InChIKey is ORBGMTCJGXSBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-5-4-6-7(10(13)14)2-1-3-8(6)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid?
2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydro-1H-quinoline-5-carboxylic acid is sourced from PubChem (CID 13243002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).