isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone

C15H16N2O — CID 116592253

IUPACisoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)c1cccc2cnccc12
InChIInChI=1S/C15H16N2O/c1-10-12(6-8-17-10)15(18)14-4-2-3-11-9-16-7-5-13(11)14/h2-5,7,9-10,12,17H,6,8H2,1H3
InChIKeyCGODDOXBUOZHNW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.42
Rot. Bonds2

About isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone

isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 116592253) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone
PubChem CID116592253
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Nameisoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)c1cccc2cnccc12
InChIInChI=1S/C15H16N2O/c1-10-12(6-8-17-10)15(18)14-4-2-3-11-9-16-7-5-13(11)14/h2-5,7,9-10,12,17H,6,8H2,1H3
InChIKeyCGODDOXBUOZHNW-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone
CID 114278955
isoquinolin-5-yl-(2-methyloxolan-3-yl)methanone
CID 114970982
isoquinolin-5-yl-(2-phenylcyclopropyl)methanone
CID 114970918
(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592208
(2S,3S,6R)-1-(isoquinoline-5-carbonyl)-2,6-dimethylpiperidine-3-carboxylic acid
CID 167876887
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
3-(isoquinoline-5-carbonyl)-4-phenylpyrrolidine-1-carboxylic acid
CID 166790511
1-isoquinolin-5-yl-2-piperidin-3-ylethanone
CID 116564336
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249
N,N-diethylisoquinoline-5-carboxamide
CID 86202974
1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone (CID 116592253) is isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)c1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is CGODDOXBUOZHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-12(6-8-17-10)15(18)14-4-2-3-11-9-16-7-5-13(11)14/h2-5,7,9-10,12,17H,6,8H2,1H3.
What are the key properties of isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 240.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116592253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).