7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine

C17H20ClN3 — CID 24863019

IUPAC7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine
SMILESClc1ccc2c(NCC34CCCN3CCC4)ccnc2c1
InChIInChI=1S/C17H20ClN3/c18-13-3-4-14-15(5-8-19-16(14)11-13)20-12-17-6-1-9-21(17)10-2-7-17/h3-5,8,11H,1-2,6-7,9-10,12H2,(H,19,20)
InChIKeyGXQUGZKOKBJQQC-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.93
Rot. Bonds3

About 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine

7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine (PubChem CID 24863019) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine
PubChem CID24863019
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine
SMILESClc1ccc2c(NCC34CCCN3CCC4)ccnc2c1
InChIInChI=1S/C17H20ClN3/c18-13-3-4-14-15(5-8-19-16(14)11-13)20-12-17-6-1-9-21(17)10-2-7-17/h3-5,8,11H,1-2,6-7,9-10,12H2,(H,19,20)
InChIKeyGXQUGZKOKBJQQC-UHFFFAOYSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine (CID 24863019) is 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine is Clc1ccc2c(NCC34CCCN3CCC4)ccnc2c1.
What is the InChIKey of 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine?
The InChIKey is GXQUGZKOKBJQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-13-3-4-14-15(5-8-19-16(14)11-13)20-12-17-6-1-9-21(17)10-2-7-17/h3-5,8,11H,1-2,6-7,9-10,12H2,(H,19,20).
What are the key properties of 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine?
7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 24863019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).