[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone

C16H19N3O2 — CID 110107959

IUPAC[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2cccc3ncccc23)C[C@H]1O
InChIInChI=1S/C16H19N3O2/c1-18(2)14-9-19(10-15(14)20)16(21)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,14-15,20H,9-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyQTCGHJULUQYYFX-HUUCEWRRSA-N
MW285.35 g/mol
LogP0.98
Rot. Bonds2

About [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone

[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 110107959) 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-5-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
PubChem CID110107959
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2cccc3ncccc23)C[C@H]1O
InChIInChI=1S/C16H19N3O2/c1-18(2)14-9-19(10-15(14)20)16(21)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,14-15,20H,9-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyQTCGHJULUQYYFX-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

Analyze [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methylnaphthalen-1-yl)methanone
CID 154745036
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(2-chloro-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026054
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 42940173
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 72851131
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 134134612
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
CID 125002735
[(3aR,4R,6aS)-4-(pyridazin-3-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-quinolin-5-ylmethanone
CID 110139120

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone (CID 110107959) is [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone is CN(C)[C@@H]1CN(C(=O)c2cccc3ncccc23)C[C@H]1O.
What is the InChIKey of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is QTCGHJULUQYYFX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)14-9-19(10-15(14)20)16(21)12-5-3-7-13-11(12)6-4-8-17-13/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-5-ylmethanone?
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-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-5-ylmethanone is sourced from PubChem (CID 110107959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).