3-pyrrolidin-3-ylisoquinoline

C13H14N2 — CID 84774980

IUPAC3-pyrrolidin-3-ylisoquinoline
SMILESc1ccc2cc(C3CCNC3)ncc2c1
InChIInChI=1S/C13H14N2/c1-2-4-11-9-15-13(7-10(11)3-1)12-5-6-14-8-12/h1-4,7,9,12,14H,5-6,8H2
InChIKeyWNWZXYKJGBGNSH-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.31
Rot. Bonds1

About 3-pyrrolidin-3-ylisoquinoline

3-pyrrolidin-3-ylisoquinoline (PubChem CID 84774980) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylisoquinoline.

Molecular Properties

Compound Name3-pyrrolidin-3-ylisoquinoline
PubChem CID84774980
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-pyrrolidin-3-ylisoquinoline
SMILESc1ccc2cc(C3CCNC3)ncc2c1
InChIInChI=1S/C13H14N2/c1-2-4-11-9-15-13(7-10(11)3-1)12-5-6-14-8-12/h1-4,7,9,12,14H,5-6,8H2
InChIKeyWNWZXYKJGBGNSH-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-4-yl)isoquinoline
CID 57157960
4-isoquinolin-3-ylcyclohexan-1-one
CID 59906403
3-piperidin-2-ylisoquinoline
CID 84782420
4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine
CID 130153359
2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
CID 124702274
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
8-chloro-2-pyrrolidin-3-ylquinazoline
CID 105493795
2-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine;hydrochloride
CID 171371651
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
2-chloro-3-pyrrolidin-3-ylquinoline
CID 116985200

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylisoquinoline?
The IUPAC name of 3-pyrrolidin-3-ylisoquinoline (CID 84774980) is 3-pyrrolidin-3-ylisoquinoline.
What is the SMILES notation for 3-pyrrolidin-3-ylisoquinoline?
The canonical SMILES for 3-pyrrolidin-3-ylisoquinoline is c1ccc2cc(C3CCNC3)ncc2c1.
What is the InChIKey of 3-pyrrolidin-3-ylisoquinoline?
The InChIKey is WNWZXYKJGBGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-4-11-9-15-13(7-10(11)3-1)12-5-6-14-8-12/h1-4,7,9,12,14H,5-6,8H2.
What are the key properties of 3-pyrrolidin-3-ylisoquinoline?
3-pyrrolidin-3-ylisoquinoline has a molecular weight of 198.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylisoquinoline is sourced from PubChem (CID 84774980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).