1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

C15H15ClN2O3 — CID 56916819

IUPAC1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-1-2-10-4-5-12(17-13(10)11)18-8-6-15(21,7-9-18)14(19)20/h1-5,21H,6-9H2,(H,19,20)
InChIKeyFDSOZZVCHRDPSW-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.30
Rot. Bonds2

About 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56916819) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56916819
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-1-2-10-4-5-12(17-13(10)11)18-8-6-15(21,7-9-18)14(19)20/h1-5,21H,6-9H2,(H,19,20)
InChIKeyFDSOZZVCHRDPSW-UHFFFAOYSA-N
XLogP2.30
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
CID 56878185
8-(8-Chloroquinolin-2-YL)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72859866
1-(5-Fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56868321
1-[6-(3-Chloro-4-fluorophenyl)quinolin-2-yl]piperidine-4-carboxylic acid
CID 174215047
1-(7-Fluoroquinolin-2-yl)piperidine-4-carboxylic acid
CID 122047447
(3S,4S)-1-(7,8-dichloroquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063793
Ethyl 1-(6-chloro-4-methyl-2-quinolinyl)-4-piperidinecarboxylate
CID 27269601
4-(8-Chloroquinolin-2-yl)piperazine-2-carboxylic acid
CID 56876958
1-(8-chloroquinolin-2-yl)-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidine-4-carboxylic acid
CID 56878247
(3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56889287
1-(Quinolin-2-yl)piperidine-4-carboxylic acid
CID 16785327
1-(Quinolin-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 56828036

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (CID 56916819) is 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(c2ccc3cccc(Cl)c3n2)CC1.
What is the InChIKey of 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is FDSOZZVCHRDPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-3-1-2-10-4-5-12(17-13(10)11)18-8-6-15(21,7-9-18)14(19)20/h1-5,21H,6-9H2,(H,19,20).
What are the key properties of 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56916819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).