2-(quinoline-6-carbonylamino)butanoic acid

C14H14N2O3 — CID 62848486

IUPAC2-(quinoline-6-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-2-11(14(18)19)16-13(17)10-5-6-12-9(8-10)4-3-7-15-12/h3-8,11H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyNHTLGCZLYDHZFI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.83
Rot. Bonds4

About 2-(quinoline-6-carbonylamino)butanoic acid

2-(quinoline-6-carbonylamino)butanoic acid (PubChem CID 62848486) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(quinoline-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(quinoline-6-carbonylamino)butanoic acid
PubChem CID62848486
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(quinoline-6-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-2-11(14(18)19)16-13(17)10-5-6-12-9(8-10)4-3-7-15-12/h3-8,11H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyNHTLGCZLYDHZFI-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
(2S)-2-(quinoline-6-carbonylamino)butanediamide
CID 70062244
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 142776250
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
2-(isoquinoline-6-carbonylamino)butanoic acid
CID 110485108

Frequently Asked Questions

What is the IUPAC name of 2-(quinoline-6-carbonylamino)butanoic acid?
The IUPAC name of 2-(quinoline-6-carbonylamino)butanoic acid (CID 62848486) is 2-(quinoline-6-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(quinoline-6-carbonylamino)butanoic acid?
The canonical SMILES for 2-(quinoline-6-carbonylamino)butanoic acid is CCC(NC(=O)c1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 2-(quinoline-6-carbonylamino)butanoic acid?
The InChIKey is NHTLGCZLYDHZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-11(14(18)19)16-13(17)10-5-6-12-9(8-10)4-3-7-15-12/h3-8,11H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(quinoline-6-carbonylamino)butanoic acid?
2-(quinoline-6-carbonylamino)butanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoline-6-carbonylamino)butanoic acid is sourced from PubChem (CID 62848486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).