pyrrolidin-3-yl(quinolin-3-yl)methanone

C14H14N2O — CID 116568242

IUPACpyrrolidin-3-yl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1CCNC1
InChIInChI=1S/C14H14N2O/c17-14(11-5-6-15-8-11)12-7-10-3-1-2-4-13(10)16-9-12/h1-4,7,9,11,15H,5-6,8H2
InChIKeyIOWMQCZJMSGLSW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.03
Rot. Bonds2

About pyrrolidin-3-yl(quinolin-3-yl)methanone

pyrrolidin-3-yl(quinolin-3-yl)methanone (PubChem CID 116568242) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is pyrrolidin-3-yl(quinolin-3-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl(quinolin-3-yl)methanone
PubChem CID116568242
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namepyrrolidin-3-yl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1CCNC1
InChIInChI=1S/C14H14N2O/c17-14(11-5-6-15-8-11)12-7-10-3-1-2-4-13(10)16-9-12/h1-4,7,9,11,15H,5-6,8H2
InChIKeyIOWMQCZJMSGLSW-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(quinolin-3-yl)methanone
CID 54861205
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841
2-piperidin-4-yl-1-quinolin-3-ylethanone
CID 116559840
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone
CID 114963148
pyrrolidin-3-yl(quinolin-7-yl)methanone
CID 116568273
2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone
CID 116594537
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
CID 155730474
CID 155730474
quinoline-3-carboxylate
CID 4608508

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(quinolin-3-yl)methanone?
The IUPAC name of pyrrolidin-3-yl(quinolin-3-yl)methanone (CID 116568242) is pyrrolidin-3-yl(quinolin-3-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl(quinolin-3-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl(quinolin-3-yl)methanone is O=C(c1cnc2ccccc2c1)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl(quinolin-3-yl)methanone?
The InChIKey is IOWMQCZJMSGLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(11-5-6-15-8-11)12-7-10-3-1-2-4-13(10)16-9-12/h1-4,7,9,11,15H,5-6,8H2.
What are the key properties of pyrrolidin-3-yl(quinolin-3-yl)methanone?
pyrrolidin-3-yl(quinolin-3-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(quinolin-3-yl)methanone is sourced from PubChem (CID 116568242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).