2-[(6-chloroquinolin-8-yl)amino]butanoic acid

C13H13ClN2O2 — CID 113292361

IUPAC2-[(6-chloroquinolin-8-yl)amino]butanoic acid
SMILESCCC(Nc1cc(Cl)cc2cccnc12)C(=O)O
InChIInChI=1S/C13H13ClN2O2/c1-2-10(13(17)18)16-11-7-9(14)6-8-4-3-5-15-12(8)11/h3-7,10,16H,2H2,1H3,(H,17,18)
InChIKeyRGIHLAOITCPERU-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.16
Rot. Bonds4

About 2-[(6-chloroquinolin-8-yl)amino]butanoic acid

2-[(6-chloroquinolin-8-yl)amino]butanoic acid (PubChem CID 113292361) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-8-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-chloroquinolin-8-yl)amino]butanoic acid
PubChem CID113292361
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-[(6-chloroquinolin-8-yl)amino]butanoic acid
SMILESCCC(Nc1cc(Cl)cc2cccnc12)C(=O)O
InChIInChI=1S/C13H13ClN2O2/c1-2-10(13(17)18)16-11-7-9(14)6-8-4-3-5-15-12(8)11/h3-7,10,16H,2H2,1H3,(H,17,18)
InChIKeyRGIHLAOITCPERU-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
CID 115928687
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
2-amino-N-(6-chloroquinolin-8-yl)pentanamide
CID 43698605
(2S,3S)-2-[(6-chloroquinolin-8-yl)methylamino]-3-methylpentanoic acid
CID 120510435
2-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]butanoic acid
CID 68635702
6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
CID 43672450
2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide
CID 81082757
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
6-chloro-N-pentylquinolin-8-amine
CID 43672340
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
6-chloro-N-hexylquinolin-8-amine
CID 43672362
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroquinolin-8-yl)amino]butanoic acid?
The IUPAC name of 2-[(6-chloroquinolin-8-yl)amino]butanoic acid (CID 113292361) is 2-[(6-chloroquinolin-8-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-chloroquinolin-8-yl)amino]butanoic acid?
The canonical SMILES for 2-[(6-chloroquinolin-8-yl)amino]butanoic acid is CCC(Nc1cc(Cl)cc2cccnc12)C(=O)O.
What is the InChIKey of 2-[(6-chloroquinolin-8-yl)amino]butanoic acid?
The InChIKey is RGIHLAOITCPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-10(13(17)18)16-11-7-9(14)6-8-4-3-5-15-12(8)11/h3-7,10,16H,2H2,1H3,(H,17,18).
What are the key properties of 2-[(6-chloroquinolin-8-yl)amino]butanoic acid?
2-[(6-chloroquinolin-8-yl)amino]butanoic acid has a molecular weight of 264.71 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroquinolin-8-yl)amino]butanoic acid is sourced from PubChem (CID 113292361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).