6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline

C13H12BrClN2 — CID 170016792

IUPAC6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline
SMILESClc1cc(C2CCNC2)nc2ccc(Br)cc12
InChIInChI=1S/C13H12BrClN2/c14-9-1-2-12-10(5-9)11(15)6-13(17-12)8-3-4-16-7-8/h1-2,5-6,8,16H,3-4,7H2
InChIKeyJBQIJOBKICSMLP-UHFFFAOYSA-N
MW311.61 g/mol
LogP3.73
Rot. Bonds1

About 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline

6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline (PubChem CID 170016792) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline
PubChem CID170016792
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline
SMILESClc1cc(C2CCNC2)nc2ccc(Br)cc12
InChIInChI=1S/C13H12BrClN2/c14-9-1-2-12-10(5-9)11(15)6-13(17-12)8-3-4-16-7-8/h1-2,5-6,8,16H,3-4,7H2
InChIKeyJBQIJOBKICSMLP-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline?
The IUPAC name of 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline (CID 170016792) is 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline.
What is the SMILES notation for 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline?
The canonical SMILES for 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline is Clc1cc(C2CCNC2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline?
The InChIKey is JBQIJOBKICSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c14-9-1-2-12-10(5-9)11(15)6-13(17-12)8-3-4-16-7-8/h1-2,5-6,8,16H,3-4,7H2.
What are the key properties of 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline?
6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline has a molecular weight of 311.61 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-pyrrolidin-3-ylquinoline is sourced from PubChem (CID 170016792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).