2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride

C17H21ClN2O3 — CID 122585506

IUPAC2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2nc(OCCCN3CCCC3)ccc2c1
InChIInChI=1S/C17H20N2O3.ClH/c20-17(21)14-4-6-15-13(12-14)5-7-16(18-15)22-11-3-10-19-8-1-2-9-19;/h4-7,12H,1-3,8-11H2,(H,20,21);1H
InChIKeyMUKLXAJSFHODED-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride

2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride (PubChem CID 122585506) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
PubChem CID122585506
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2nc(OCCCN3CCCC3)ccc2c1
InChIInChI=1S/C17H20N2O3.ClH/c20-17(21)14-4-6-15-13(12-14)5-7-16(18-15)22-11-3-10-19-8-1-2-9-19;/h4-7,12H,1-3,8-11H2,(H,20,21);1H
InChIKeyMUKLXAJSFHODED-UHFFFAOYSA-N
XLogP3.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 122585497
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
4-iodo-3-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 114103663
6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 169229580
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
CID 168935322
N'-[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]butanediamide
CID 151573426
2-(2-pyrrolidin-1-ylethyl)benzotriazole-5-carboxylic acid
CID 83968734
[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate
CID 67317517
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride (CID 122585506) is 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2nc(OCCCN3CCCC3)ccc2c1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride?
The InChIKey is MUKLXAJSFHODED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.ClH/c20-17(21)14-4-6-15-13(12-14)5-7-16(18-15)22-11-3-10-19-8-1-2-9-19;/h4-7,12H,1-3,8-11H2,(H,20,21);1H.
What are the key properties of 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride?
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 122585506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).