[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone

C16H19N3O2 — CID 110107984

IUPAC[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1O
InChIInChI=1S/C16H19N3O2/c1-18(2)14-9-19(10-15(14)20)16(21)13-8-7-11-5-3-4-6-12(11)17-13/h3-8,14-15,20H,9-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyGBITXKRZHYREHH-HUUCEWRRSA-N
MW285.35 g/mol
LogP0.98
Rot. Bonds2

About [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone

[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 110107984) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID110107984
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1O
InChIInChI=1S/C16H19N3O2/c1-18(2)14-9-19(10-15(14)20)16(21)13-8-7-11-5-3-4-6-12(11)17-13/h3-8,14-15,20H,9-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyGBITXKRZHYREHH-HUUCEWRRSA-N
XLogP0.98
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 110107984) is [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone is CN(C)[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1O.
What is the InChIKey of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is GBITXKRZHYREHH-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)14-9-19(10-15(14)20)16(21)13-8-7-11-5-3-4-6-12(11)17-13/h3-8,14-15,20H,9-10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone?
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 285.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 110107984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).