4-(2-phenylpyrrolidin-3-yl)isoquinoline

C19H18N2 — CID 104504840

IUPAC4-(2-phenylpyrrolidin-3-yl)isoquinoline
SMILESc1ccc(C2NCCC2c2cncc3ccccc23)cc1
InChIInChI=1S/C19H18N2/c1-2-6-14(7-3-1)19-17(10-11-21-19)18-13-20-12-15-8-4-5-9-16(15)18/h1-9,12-13,17,19,21H,10-11H2
InChIKeyQAQMCNLOOCVWEY-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.05
Rot. Bonds2

About 4-(2-phenylpyrrolidin-3-yl)isoquinoline

4-(2-phenylpyrrolidin-3-yl)isoquinoline (PubChem CID 104504840) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(2-phenylpyrrolidin-3-yl)isoquinoline.

Molecular Properties

Compound Name4-(2-phenylpyrrolidin-3-yl)isoquinoline
PubChem CID104504840
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-(2-phenylpyrrolidin-3-yl)isoquinoline
SMILESc1ccc(C2NCCC2c2cncc3ccccc23)cc1
InChIInChI=1S/C19H18N2/c1-2-6-14(7-3-1)19-17(10-11-21-19)18-13-20-12-15-8-4-5-9-16(15)18/h1-9,12-13,17,19,21H,10-11H2
InChIKeyQAQMCNLOOCVWEY-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-methylpropyl)pyrrolidin-3-yl]isoquinoline
CID 104504841
2-isoquinolin-4-ylcyclohexan-1-amine
CID 63938244
2-isoquinolin-4-ylcyclopentan-1-amine
CID 63938433
4-cyclohexylisoquinoline
CID 21394649
4-isoquinolin-4-ylcyclohexan-1-amine
CID 83261369
N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine
CID 81016883
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 62718282
2-phenyl-3-(2,4,6-trimethylphenyl)pyrrolidine
CID 62718277
3-(3,4-dimethylphenyl)-2-phenylpyrrolidine
CID 62718437
2,3-diphenylpiperazine;hydrochloride
CID 175072756
3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine
CID 115528319
3-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 79337694

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrrolidin-3-yl)isoquinoline?
The IUPAC name of 4-(2-phenylpyrrolidin-3-yl)isoquinoline (CID 104504840) is 4-(2-phenylpyrrolidin-3-yl)isoquinoline.
What is the SMILES notation for 4-(2-phenylpyrrolidin-3-yl)isoquinoline?
The canonical SMILES for 4-(2-phenylpyrrolidin-3-yl)isoquinoline is c1ccc(C2NCCC2c2cncc3ccccc23)cc1.
What is the InChIKey of 4-(2-phenylpyrrolidin-3-yl)isoquinoline?
The InChIKey is QAQMCNLOOCVWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-6-14(7-3-1)19-17(10-11-21-19)18-13-20-12-15-8-4-5-9-16(15)18/h1-9,12-13,17,19,21H,10-11H2.
What are the key properties of 4-(2-phenylpyrrolidin-3-yl)isoquinoline?
4-(2-phenylpyrrolidin-3-yl)isoquinoline has a molecular weight of 274.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrrolidin-3-yl)isoquinoline is sourced from PubChem (CID 104504840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).