[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone

C19H24FN3O — CID 70781091

IUPAC[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@H]1N(C)C
InChIInChI=1S/C19H24FN3O/c1-4-6-14-11-23(12-17(14)22(2)3)19(24)16-10-9-13-7-5-8-15(20)18(13)21-16/h5,7-10,14,17H,4,6,11-12H2,1-3H3/t14-,17-/m1/s1
InChIKeyPXPODYXUUOTGNG-RHSMWYFYSA-N
MW329.42 g/mol
LogP3.18
Rot. Bonds4

About [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone

[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone (PubChem CID 70781091) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
PubChem CID70781091
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@H]1N(C)C
InChIInChI=1S/C19H24FN3O/c1-4-6-14-11-23(12-17(14)22(2)3)19(24)16-10-9-13-7-5-8-15(20)18(13)21-16/h5,7-10,14,17H,4,6,11-12H2,1-3H3/t14-,17-/m1/s1
InChIKeyPXPODYXUUOTGNG-RHSMWYFYSA-N
XLogP3.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone (CID 70781091) is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone is CCC[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone?
The InChIKey is PXPODYXUUOTGNG-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-4-6-14-11-23(12-17(14)22(2)3)19(24)16-10-9-13-7-5-8-15(20)18(13)21-16/h5,7-10,14,17H,4,6,11-12H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone?
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone has a molecular weight of 329.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone is sourced from PubChem (CID 70781091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).