7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid

C12H10N2O4 — CID 170860986

IUPAC7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNCC(=O)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C12H10N2O4/c13-4-10(15)6-1-2-7-9(3-6)14-5-8(11(7)16)12(17)18/h1-3,5H,4,13H2,(H,14,16)(H,17,18)
InChIKeyAPKMLAOHODREPR-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.37
Rot. Bonds3

About 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid

7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 170860986) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID170860986
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNCC(=O)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C12H10N2O4/c13-4-10(15)6-1-2-7-9(3-6)14-5-8(11(7)16)12(17)18/h1-3,5H,4,13H2,(H,14,16)(H,17,18)
InChIKeyAPKMLAOHODREPR-UHFFFAOYSA-N
XLogP0.37
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
CID 11500516
7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 169464463
4-oxo-1H-quinoline-3,7-dicarbohydrazide
CID 43839929
7-(3-amino-3-oxoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 169482669
4-oxo-7-(1,2,3-trihydroxypropyl)-1H-quinoline-3-carboxylic acid
CID 170818857
6,7-bis(2-fluoroethyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 70495268
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
2-amino-1-(9H-carbazol-2-yl)ethanone
CID 170860262
3-(aminomethylsulfanyl)-1H-indole-6-carboxylic acid
CID 151957743
7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 69006677
4-oxo-7-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-1H-quinoline-3-carboxylic acid
CID 169472608
7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 46917304

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid (CID 170860986) is 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid is NCC(=O)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1.
What is the InChIKey of 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is APKMLAOHODREPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c13-4-10(15)6-1-2-7-9(3-6)14-5-8(11(7)16)12(17)18/h1-3,5H,4,13H2,(H,14,16)(H,17,18).
What are the key properties of 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid?
7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 170860986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).