7-chloro-4-pyrrolidin-1-ylquinoline

C13H13ClN2 — CID 962627

IUPAC7-chloro-4-pyrrolidin-1-ylquinoline
SMILESClc1ccc2c(N3CCCC3)ccnc2c1
InChIInChI=1S/C13H13ClN2/c14-10-3-4-11-12(9-10)15-6-5-13(11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2
InChIKeyRKVBRQUSBUXPGZ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.49
Rot. Bonds1

About 7-chloro-4-pyrrolidin-1-ylquinoline

7-chloro-4-pyrrolidin-1-ylquinoline (PubChem CID 962627) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 7-chloro-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name7-chloro-4-pyrrolidin-1-ylquinoline
PubChem CID962627
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name7-chloro-4-pyrrolidin-1-ylquinoline
SMILESClc1ccc2c(N3CCCC3)ccnc2c1
InChIInChI=1S/C13H13ClN2/c14-10-3-4-11-12(9-10)15-6-5-13(11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2
InChIKeyRKVBRQUSBUXPGZ-UHFFFAOYSA-N
XLogP3.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-4-pyrrolidin-1-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 7-chloro-4-pyrrolidin-1-ylquinoline (CID 962627) is 7-chloro-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 7-chloro-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 7-chloro-4-pyrrolidin-1-ylquinoline is Clc1ccc2c(N3CCCC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-pyrrolidin-1-ylquinoline?
The InChIKey is RKVBRQUSBUXPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-10-3-4-11-12(9-10)15-6-5-13(11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2.
What are the key properties of 7-chloro-4-pyrrolidin-1-ylquinoline?
7-chloro-4-pyrrolidin-1-ylquinoline has a molecular weight of 232.71 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 962627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).