7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine

C13H14ClN3 — CID 67618697

IUPAC7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
SMILESClc1ccc2c(N[C@@H]3CCNC3)ccnc2c1
InChIInChI=1S/C13H14ClN3/c14-9-1-2-11-12(4-6-16-13(11)7-9)17-10-3-5-15-8-10/h1-2,4,6-7,10,15H,3,5,8H2,(H,16,17)/t10-/m1/s1
InChIKeySIKREZNZCUOCOS-SNVBAGLBSA-N
MW247.73 g/mol
LogP2.66
Rot. Bonds2

About 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine

7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine (PubChem CID 67618697) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
PubChem CID67618697
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
SMILESClc1ccc2c(N[C@@H]3CCNC3)ccnc2c1
InChIInChI=1S/C13H14ClN3/c14-9-1-2-11-12(4-6-16-13(11)7-9)17-10-3-5-15-8-10/h1-2,4,6-7,10,15H,3,5,8H2,(H,16,17)/t10-/m1/s1
InChIKeySIKREZNZCUOCOS-SNVBAGLBSA-N
XLogP2.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine (CID 67618697) is 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine is Clc1ccc2c(N[C@@H]3CCNC3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine?
The InChIKey is SIKREZNZCUOCOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-9-1-2-11-12(4-6-16-13(11)7-9)17-10-3-5-15-8-10/h1-2,4,6-7,10,15H,3,5,8H2,(H,16,17)/t10-/m1/s1.
What are the key properties of 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine?
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine is sourced from PubChem (CID 67618697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).