1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid

C17H19ClN2O2 — CID 122124482

IUPAC1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H19ClN2O2/c1-11-4-5-13(17(21)22)9-20(11)10-14-8-15(18)7-12-3-2-6-19-16(12)14/h2-3,6-8,11,13H,4-5,9-10H2,1H3,(H,21,22)
InChIKeyAHJBFONHVAMGDJ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.57
Rot. Bonds3

About 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid

1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122124482) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122124482
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H19ClN2O2/c1-11-4-5-13(17(21)22)9-20(11)10-14-8-15(18)7-12-3-2-6-19-16(12)14/h2-3,6-8,11,13H,4-5,9-10H2,1H3,(H,21,22)
InChIKeyAHJBFONHVAMGDJ-UHFFFAOYSA-N
XLogP3.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122124527
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084082
1-[(3-chloro-5-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084199
[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone
CID 75400939
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784462
1-(1-benzothiophen-2-ylmethyl)-6-methylpiperidine-3-carboxylic acid
CID 122124474
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
1-[(3-bromo-4-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084066
1-[(2-fluoro-5-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124597
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836
[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769662

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid (CID 122124482) is 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1Cc1cc(Cl)cc2cccnc12.
What is the InChIKey of 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is AHJBFONHVAMGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-4-5-13(17(21)22)9-20(11)10-14-8-15(18)7-12-3-2-6-19-16(12)14/h2-3,6-8,11,13H,4-5,9-10H2,1H3,(H,21,22).
What are the key properties of 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid?
1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 318.80 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122124482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).