2-chloro-3-pyrrolidin-3-ylquinoline

C13H13ClN2 — CID 116985200

IUPAC2-chloro-3-pyrrolidin-3-ylquinoline
SMILESClc1nc2ccccc2cc1C1CCNC1
InChIInChI=1S/C13H13ClN2/c14-13-11(10-5-6-15-8-10)7-9-3-1-2-4-12(9)16-13/h1-4,7,10,15H,5-6,8H2
InChIKeyXCJNDEPRNIPWKU-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.97
Rot. Bonds1

About 2-chloro-3-pyrrolidin-3-ylquinoline

2-chloro-3-pyrrolidin-3-ylquinoline (PubChem CID 116985200) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-3-pyrrolidin-3-ylquinoline.

Molecular Properties

Compound Name2-chloro-3-pyrrolidin-3-ylquinoline
PubChem CID116985200
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-3-pyrrolidin-3-ylquinoline
SMILESClc1nc2ccccc2cc1C1CCNC1
InChIInChI=1S/C13H13ClN2/c14-13-11(10-5-6-15-8-10)7-9-3-1-2-4-12(9)16-13/h1-4,7,10,15H,5-6,8H2
InChIKeyXCJNDEPRNIPWKU-UHFFFAOYSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-cyclopropylquinoline
CID 14001233
2-chloro-3-cyclohexylquinoline
CID 14001235
2-pyrrolidin-3-ylquinolin-3-amine
CID 144553438
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205
N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 63301282
(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride
CID 171192924
(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one
CID 171252851
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline
CID 71639811
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
3-pyrrolidin-3-ylisoquinoline
CID 84774980
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-pyrrolidin-3-ylquinoline?
The IUPAC name of 2-chloro-3-pyrrolidin-3-ylquinoline (CID 116985200) is 2-chloro-3-pyrrolidin-3-ylquinoline.
What is the SMILES notation for 2-chloro-3-pyrrolidin-3-ylquinoline?
The canonical SMILES for 2-chloro-3-pyrrolidin-3-ylquinoline is Clc1nc2ccccc2cc1C1CCNC1.
What is the InChIKey of 2-chloro-3-pyrrolidin-3-ylquinoline?
The InChIKey is XCJNDEPRNIPWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-13-11(10-5-6-15-8-10)7-9-3-1-2-4-12(9)16-13/h1-4,7,10,15H,5-6,8H2.
What are the key properties of 2-chloro-3-pyrrolidin-3-ylquinoline?
2-chloro-3-pyrrolidin-3-ylquinoline has a molecular weight of 232.71 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-pyrrolidin-3-ylquinoline is sourced from PubChem (CID 116985200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).