4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid

C14H13FN2O3 — CID 110464541

IUPAC4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-3-9-6-7-11(17-13(9)10)14(20)16-8-2-5-12(18)19/h1,3-4,6-7H,2,5,8H2,(H,16,20)(H,18,19)
InChIKeyUGEBHXGRGKNORJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.97
Rot. Bonds5

About 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid

4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid (PubChem CID 110464541) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
PubChem CID110464541
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-3-9-6-7-11(17-13(9)10)14(20)16-8-2-5-12(18)19/h1,3-4,6-7H,2,5,8H2,(H,16,20)(H,18,19)
InChIKeyUGEBHXGRGKNORJ-UHFFFAOYSA-N
XLogP1.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
CID 77096220
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
8-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464521
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide
CID 50981969
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide
CID 77091999
4-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]butanoic acid
CID 122058454

Frequently Asked Questions

What is the IUPAC name of 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid (CID 110464541) is 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid?
The InChIKey is UGEBHXGRGKNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-4-1-3-9-6-7-11(17-13(9)10)14(20)16-8-2-5-12(18)19/h1,3-4,6-7H,2,5,8H2,(H,16,20)(H,18,19).
What are the key properties of 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid?
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid has a molecular weight of 276.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110464541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).