5-pyrrolidin-1-ylisoquinoline

C13H14N2 — CID 82582558

IUPAC5-pyrrolidin-1-ylisoquinoline
SMILESc1cc(N2CCCC2)c2ccncc2c1
InChIInChI=1S/C13H14N2/c1-2-9-15(8-1)13-5-3-4-11-10-14-7-6-12(11)13/h3-7,10H,1-2,8-9H2
InChIKeyABVRRFOLGMTAGS-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.84
Rot. Bonds1

About 5-pyrrolidin-1-ylisoquinoline

5-pyrrolidin-1-ylisoquinoline (PubChem CID 82582558) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylisoquinoline.

Molecular Properties

Compound Name5-pyrrolidin-1-ylisoquinoline
PubChem CID82582558
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-pyrrolidin-1-ylisoquinoline
SMILESc1cc(N2CCCC2)c2ccncc2c1
InChIInChI=1S/C13H14N2/c1-2-9-15(8-1)13-5-3-4-11-10-14-7-6-12(11)13/h3-7,10H,1-2,8-9H2
InChIKeyABVRRFOLGMTAGS-UHFFFAOYSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methyl-1,4-diazepan-1-yl)isoquinoline
CID 64945525
2-isoquinolin-5-yl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79923607
5-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 94873112
5-(3-propan-2-yl-1,4-diazepan-1-yl)isoquinoline
CID 64942773
3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine
CID 10754812
8-piperazin-1-ylisoquinoline
CID 21070960
5-(3-tert-butylpiperazin-1-yl)isoquinoline
CID 64924272
5-(3,3-diethylpiperazin-1-yl)isoquinoline
CID 64924668
8-pyrrolidin-1-ylquinazoline
CID 66725106
4-ethynyl-1-isoquinolin-5-ylpyrrolidin-2-one
CID 168502618
isoquinolin-5-ylboronic acid
CID 599474
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylisoquinoline?
The IUPAC name of 5-pyrrolidin-1-ylisoquinoline (CID 82582558) is 5-pyrrolidin-1-ylisoquinoline.
What is the SMILES notation for 5-pyrrolidin-1-ylisoquinoline?
The canonical SMILES for 5-pyrrolidin-1-ylisoquinoline is c1cc(N2CCCC2)c2ccncc2c1.
What is the InChIKey of 5-pyrrolidin-1-ylisoquinoline?
The InChIKey is ABVRRFOLGMTAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-9-15(8-1)13-5-3-4-11-10-14-7-6-12(11)13/h3-7,10H,1-2,8-9H2.
What are the key properties of 5-pyrrolidin-1-ylisoquinoline?
5-pyrrolidin-1-ylisoquinoline has a molecular weight of 198.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylisoquinoline is sourced from PubChem (CID 82582558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).