8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline

C14H15ClN2O — CID 82569796

IUPAC8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline
SMILESClc1cccc2ccnc(OCC3CCCN3)c12
InChIInChI=1S/C14H15ClN2O/c15-12-5-1-3-10-6-8-17-14(13(10)12)18-9-11-4-2-7-16-11/h1,3,5-6,8,11,16H,2,4,7,9H2
InChIKeyDHKCRTBTOXXHTG-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.02
Rot. Bonds3

About 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline

8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline (PubChem CID 82569796) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline.

Molecular Properties

Compound Name8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline
PubChem CID82569796
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline
SMILESClc1cccc2ccnc(OCC3CCCN3)c12
InChIInChI=1S/C14H15ClN2O/c15-12-5-1-3-10-6-8-17-14(13(10)12)18-9-11-4-2-7-16-11/h1,3,5-6,8,11,16H,2,4,7,9H2
InChIKeyDHKCRTBTOXXHTG-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
3-chloro-4-methoxy-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 156847857
N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
CID 82572627
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline?
The IUPAC name of 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline (CID 82569796) is 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline.
What is the SMILES notation for 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline?
The canonical SMILES for 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline is Clc1cccc2ccnc(OCC3CCCN3)c12.
What is the InChIKey of 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline?
The InChIKey is DHKCRTBTOXXHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-5-1-3-10-6-8-17-14(13(10)12)18-9-11-4-2-7-16-11/h1,3,5-6,8,11,16H,2,4,7,9H2.
What are the key properties of 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline?
8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline has a molecular weight of 262.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline is sourced from PubChem (CID 82569796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).