4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid

C15H16ClN3O2 — CID 154249318

IUPAC4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-1-2-10-4-5-13(18-14(10)12)17-11-6-8-19(9-7-11)15(20)21/h1-5,11H,6-9H2,(H,17,18)(H,20,21)
InChIKeyMNEYJJWBMBFVIL-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.44
Rot. Bonds2

About 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid

4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid (PubChem CID 154249318) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
PubChem CID154249318
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-1-2-10-4-5-13(18-14(10)12)17-11-6-8-19(9-7-11)15(20)21/h1-5,11H,6-9H2,(H,17,18)(H,20,21)
InChIKeyMNEYJJWBMBFVIL-UHFFFAOYSA-N
XLogP3.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766
4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid
CID 172785569
8-chloro-N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67400120
[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 133436512
8-chloro-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67400703
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid
CID 19102745
8-chloro-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67402123
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid
CID 141325023
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
4-[[6-[3-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 143311008

Frequently Asked Questions

What is the IUPAC name of 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid (CID 154249318) is 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ccc3cccc(Cl)c3n2)CC1.
What is the InChIKey of 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is MNEYJJWBMBFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-3-1-2-10-4-5-13(18-14(10)12)17-11-6-8-19(9-7-11)15(20)21/h1-5,11H,6-9H2,(H,17,18)(H,20,21).
What are the key properties of 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid?
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 154249318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).