1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid

C15H16N2O4 — CID 82213114

IUPAC1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2ccc(=O)n(CC(N)=O)c12
InChIInChI=1S/C15H16N2O4/c1-8(2)11-6-10(15(20)21)5-9-3-4-13(19)17(14(9)11)7-12(16)18/h3-6,8H,7H2,1-2H3,(H2,16,18)(H,20,21)
InChIKeyQZPHLJYTDZIPCW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.31
Rot. Bonds4

About 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid

1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid (PubChem CID 82213114) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
PubChem CID82213114
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2ccc(=O)n(CC(N)=O)c12
InChIInChI=1S/C15H16N2O4/c1-8(2)11-6-10(15(20)21)5-9-3-4-13(19)17(14(9)11)7-12(16)18/h3-6,8H,7H2,1-2H3,(H2,16,18)(H,20,21)
InChIKeyQZPHLJYTDZIPCW-UHFFFAOYSA-N
XLogP1.31
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-8-propan-2-yl-1-prop-2-enylquinoline-6-carboxylic acid
CID 82213115
8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
CID 82213036
8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
CID 82212983
1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213077
8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid
CID 82212970
2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid
CID 23359067
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
CID 82213037
1-methyl-3,7-di(propan-2-yl)indole-5-carboxylic acid
CID 83945763
2-(6-bromo-2-oxoquinolin-1-yl)acetamide
CID 46830041
8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
CID 94947485
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid
CID 82213142

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid (CID 82213114) is 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid is CC(C)c1cc(C(=O)O)cc2ccc(=O)n(CC(N)=O)c12.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid?
The InChIKey is QZPHLJYTDZIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8(2)11-6-10(15(20)21)5-9-3-4-13(19)17(14(9)11)7-12(16)18/h3-6,8H,7H2,1-2H3,(H2,16,18)(H,20,21).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid?
1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid is sourced from PubChem (CID 82213114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).