phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone

C20H18N2O — CID 124500188

IUPACphenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@@H]1c1cnc2ccccc2c1
InChIInChI=1S/C20H18N2O/c23-20(15-7-2-1-3-8-15)22-12-6-11-19(22)17-13-16-9-4-5-10-18(16)21-14-17/h1-5,7-10,13-14,19H,6,11-12H2/t19-/m1/s1
InChIKeyXPOYCDCWZWMQBH-LJQANCHMSA-N
MW302.38 g/mol
LogP4.21
Rot. Bonds2

About phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone

phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 124500188) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
PubChem CID124500188
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Namephenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@@H]1c1cnc2ccccc2c1
InChIInChI=1S/C20H18N2O/c23-20(15-7-2-1-3-8-15)22-12-6-11-19(22)17-13-16-9-4-5-10-18(16)21-14-17/h1-5,7-10,13-14,19H,6,11-12H2/t19-/m1/s1
InChIKeyXPOYCDCWZWMQBH-LJQANCHMSA-N
XLogP4.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
1-(2-quinolin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 51346071
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890
[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102540166
3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline
CID 124500180
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone (CID 124500188) is phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone is O=C(c1ccccc1)N1CCC[C@@H]1c1cnc2ccccc2c1.
What is the InChIKey of phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is XPOYCDCWZWMQBH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20(15-7-2-1-3-8-15)22-12-6-11-19(22)17-13-16-9-4-5-10-18(16)21-14-17/h1-5,7-10,13-14,19H,6,11-12H2/t19-/m1/s1.
What are the key properties of phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone?
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124500188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).