1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid

C16H17ClN2O2 — CID 104595813

IUPAC1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H17ClN2O2/c1-16(15(20)21)7-2-3-9-19(16)14-6-8-18-13-10-11(17)4-5-12(13)14/h4-6,8,10H,2-3,7,9H2,1H3,(H,20,21)
InChIKeyRWSSSBYKWLVOMU-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.72
Rot. Bonds2

About 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid

1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595813) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595813
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H17ClN2O2/c1-16(15(20)21)7-2-3-9-19(16)14-6-8-18-13-10-11(17)4-5-12(13)14/h4-6,8,10H,2-3,7,9H2,1H3,(H,20,21)
InChIKeyRWSSSBYKWLVOMU-UHFFFAOYSA-N
XLogP3.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-cyanophenyl)-2-methylpiperidine-2-carboxylic acid
CID 104595788
1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595845
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 61290273
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-3-methyl-2H-thiophene-2-carboxylic acid
CID 135236096
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
2-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-2-carboxylic acid
CID 103385168
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
CID 78871227

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid (CID 104595813) is 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is RWSSSBYKWLVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(15(20)21)7-2-3-9-19(16)14-6-8-18-13-10-11(17)4-5-12(13)14/h4-6,8,10H,2-3,7,9H2,1H3,(H,20,21).
What are the key properties of 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid?
1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).