7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine

C18H22ClN3 — CID 11645360

IUPAC7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCC34CCCN3CCC4)ccnc2c1
InChIInChI=1S/C18H22ClN3/c19-14-3-4-15-16(5-9-20-17(15)13-14)21-10-8-18-6-1-11-22(18)12-2-7-18/h3-5,9,13H,1-2,6-8,10-12H2,(H,20,21)
InChIKeyKKUKJZXGJSFJLI-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.32
Rot. Bonds4

About 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine

7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine (PubChem CID 11645360) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine
PubChem CID11645360
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCC34CCCN3CCC4)ccnc2c1
InChIInChI=1S/C18H22ClN3/c19-14-3-4-15-16(5-9-20-17(15)13-14)21-10-8-18-6-1-11-22(18)12-2-7-18/h3-5,9,13H,1-2,6-8,10-12H2,(H,20,21)
InChIKeyKKUKJZXGJSFJLI-UHFFFAOYSA-N
XLogP4.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroquine
CID 2719
Chloroquine Phosphate
CID 64927
Hydroxychloroquine
CID 3652
(+-)-Desethylhydroxychloroquine
CID 71826
(+-)-Desethylchloroquine
CID 95478
(+-)-Chloroquine diphosphate
CID 83818
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553
Ro 41-3118
CID 408190
7-Chloro-4-(1-pyrrolidinyl)quinoline
CID 962627

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine (CID 11645360) is 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine is Clc1ccc2c(NCCC34CCCN3CCC4)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine?
The InChIKey is KKUKJZXGJSFJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c19-14-3-4-15-16(5-9-20-17(15)13-14)21-10-8-18-6-1-11-22(18)12-2-7-18/h3-5,9,13H,1-2,6-8,10-12H2,(H,20,21).
What are the key properties of 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine?
7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine has a molecular weight of 315.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 11645360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).