1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid

C22H21ClN2O3 — CID 174215034

IUPAC1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
SMILESCOc1cc(-c2ccc3nc(N4CCC(C(=O)O)CC4)ccc3c2)ccc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-28-20-13-16(2-5-18(20)23)15-3-6-19-17(12-15)4-7-21(24-19)25-10-8-14(9-11-25)22(26)27/h2-7,12-14H,8-11H2,1H3,(H,26,27)
InChIKeyVFGXHTXPFXSWIU-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.86
Rot. Bonds4

About 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid

1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid (PubChem CID 174215034) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
PubChem CID174215034
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
SMILESCOc1cc(-c2ccc3nc(N4CCC(C(=O)O)CC4)ccc3c2)ccc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-28-20-13-16(2-5-18(20)23)15-3-6-19-17(12-15)4-7-21(24-19)25-10-8-14(9-11-25)22(26)27/h2-7,12-14H,8-11H2,1H3,(H,26,27)
InChIKeyVFGXHTXPFXSWIU-UHFFFAOYSA-N
XLogP4.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-pyrimidin-5-ylquinolin-2-yl)piperidine-4-carbonyl chloride
CID 172635376
1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylic acid
CID 174215132
ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
CID 156801017
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
1-[6-(4-chloro-2-methoxy-5-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192836
1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
CID 122047509
ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate
CID 156537969
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451
1-[5-chloro-1-(6-fluoroquinolin-2-yl)-6-methylbenzimidazol-2-yl]piperidine-4-carboxylic acid
CID 70653903
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinolin-2-yl]piperidine-4-carboxylic acid
CID 21183949
ethyl 1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylate
CID 156558103

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid (CID 174215034) is 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid is COc1cc(-c2ccc3nc(N4CCC(C(=O)O)CC4)ccc3c2)ccc1Cl.
What is the InChIKey of 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is VFGXHTXPFXSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-28-20-13-16(2-5-18(20)23)15-3-6-19-17(12-15)4-7-21(24-19)25-10-8-14(9-11-25)22(26)27/h2-7,12-14H,8-11H2,1H3,(H,26,27).
What are the key properties of 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 396.87 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 174215034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).