(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C16H18N2O2 — CID 111561139

IUPAC(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CC[C@@H](O)C3)cc2c1
InChIInChI=1S/C16H18N2O2/c1-10-3-4-15-12(7-10)8-14(11(2)17-15)16(20)18-6-5-13(19)9-18/h3-4,7-8,13,19H,5-6,9H2,1-2H3/t13-/m1/s1
InChIKeyYXWGRVVQDWSHCI-CYBMUJFWSA-N
MW270.33 g/mol
LogP2.06
Rot. Bonds1

About (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111561139) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111561139
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CC[C@@H](O)C3)cc2c1
InChIInChI=1S/C16H18N2O2/c1-10-3-4-15-12(7-10)8-14(11(2)17-15)16(20)18-6-5-13(19)9-18/h3-4,7-8,13,19H,5-6,9H2,1-2H3/t13-/m1/s1
InChIKeyYXWGRVVQDWSHCI-CYBMUJFWSA-N
XLogP2.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95325581
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49358466
(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103879517
(4aS,8aS)-7-(2,6-dimethylquinoline-3-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135114316
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 155950739

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111561139) is (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](O)C3)cc2c1.
What is the InChIKey of (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is YXWGRVVQDWSHCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-3-4-15-12(7-10)8-14(11(2)17-15)16(20)18-6-5-13(19)9-18/h3-4,7-8,13,19H,5-6,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 270.33 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111561139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).