1-pyrrolidin-3-yloxyisoquinoline;hydrochloride

C13H15ClN2O — CID 14497379

IUPAC1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
SMILESCl.c1ccc2c(OC3CCNC3)nccc2c1
InChIInChI=1S/C13H14N2O.ClH/c1-2-4-12-10(3-1)5-8-15-13(12)16-11-6-7-14-9-11;/h1-5,8,11,14H,6-7,9H2;1H
InChIKeyWOQQQKLVSWRAHT-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.40
Rot. Bonds2

About 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride

1-pyrrolidin-3-yloxyisoquinoline;hydrochloride (PubChem CID 14497379) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
PubChem CID14497379
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
SMILESCl.c1ccc2c(OC3CCNC3)nccc2c1
InChIInChI=1S/C13H14N2O.ClH/c1-2-4-12-10(3-1)5-8-15-13(12)16-11-6-7-14-9-11;/h1-5,8,11,14H,6-7,9H2;1H
InChIKeyWOQQQKLVSWRAHT-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-pyrrolidin-3-yloxyisoquinoline
CID 106541999
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406855
2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71302121
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334
isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride
CID 158102505
3-[1-[(3R)-pyrrolidin-3-yl]oxyisoquinolin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136596970
6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542165
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride
CID 71639242

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride?
The IUPAC name of 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride (CID 14497379) is 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride?
The canonical SMILES for 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride is Cl.c1ccc2c(OC3CCNC3)nccc2c1.
What is the InChIKey of 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride?
The InChIKey is WOQQQKLVSWRAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c1-2-4-12-10(3-1)5-8-15-13(12)16-11-6-7-14-9-11;/h1-5,8,11,14H,6-7,9H2;1H.
What are the key properties of 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride?
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yloxyisoquinoline;hydrochloride is sourced from PubChem (CID 14497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).