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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Related Compounds

N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
7-chloro-N-(3-methylsulfanylcyclopentyl)quinolin-4-amine
CID 103704139
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
cis-(1R,3S)-1-N-[(4-chlorophenyl)methyl]-3-N-(7-chloroquinolin-4-yl)cyclopentane-1,3-diamine;dihydrochloride
CID 70199639
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 10045727
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300

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).