4-oxo-4-(quinolin-8-ylamino)butanoic acid

C13H12N2O3 — CID 744791

IUPAC4-oxo-4-(quinolin-8-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H12N2O3/c16-11(6-7-12(17)18)15-10-5-1-3-9-4-2-8-14-13(9)10/h1-5,8H,6-7H2,(H,15,16)(H,17,18)
InChIKeyJZXREPGLYAITDP-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.04
Rot. Bonds4

About 4-oxo-4-(quinolin-8-ylamino)butanoic acid

4-oxo-4-(quinolin-8-ylamino)butanoic acid (PubChem CID 744791) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-oxo-4-(quinolin-8-ylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(quinolin-8-ylamino)butanoic acid
PubChem CID744791
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-oxo-4-(quinolin-8-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H12N2O3/c16-11(6-7-12(17)18)15-10-5-1-3-9-4-2-8-14-13(9)10/h1-5,8H,6-7H2,(H,15,16)(H,17,18)
InChIKeyJZXREPGLYAITDP-UHFFFAOYSA-N
XLogP2.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-Aminoquinoline
CID 11359
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136
N-(quinolin-8-yl)-6-(sulfamoylamino)hexanamide
CID 25216936
N-(quinolin-3-yl)-6-(sulfamoylamino)hexanamide
CID 44591342
3-Acetylaminoquinoline
CID 79448
N-quinolin-8-ylpropanamide
CID 2963713
N-(quinolin-6-yl)acetamide
CID 31176
N-8-Quinolinylacetamide
CID 36591
N-(3-quinoxalin-2-ylphenyl)acetamide
CID 650863
N-(quinolin-8-yl)benzamide
CID 836104
2-(4-fluorophenyl)-N-(8-quinolinyl)acetamide
CID 836402
N-(8-quinolinyl)cyclopentanecarboxamide
CID 836584

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(quinolin-8-ylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(quinolin-8-ylamino)butanoic acid (CID 744791) is 4-oxo-4-(quinolin-8-ylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(quinolin-8-ylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(quinolin-8-ylamino)butanoic acid is O=C(O)CCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 4-oxo-4-(quinolin-8-ylamino)butanoic acid?
The InChIKey is JZXREPGLYAITDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11(6-7-12(17)18)15-10-5-1-3-9-4-2-8-14-13(9)10/h1-5,8H,6-7H2,(H,15,16)(H,17,18).
What are the key properties of 4-oxo-4-(quinolin-8-ylamino)butanoic acid?
4-oxo-4-(quinolin-8-ylamino)butanoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(quinolin-8-ylamino)butanoic acid is sourced from PubChem (CID 744791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).