(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone

C15H17N3O3 — CID 106673774

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
SMILESCNc1cc(C(=O)N2CC(O)C(O)C2)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-16-14-6-10(9-4-2-3-5-11(9)17-14)15(21)18-7-12(19)13(20)8-18/h2-6,12-13,19-20H,7-8H2,1H3,(H,16,17)
InChIKeyCNERZUAJPHGPPN-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.45
Rot. Bonds2

About (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone

(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone (PubChem CID 106673774) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
PubChem CID106673774
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
SMILESCNc1cc(C(=O)N2CC(O)C(O)C2)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-16-14-6-10(9-4-2-3-5-11(9)17-14)15(21)18-7-12(19)13(20)8-18/h2-6,12-13,19-20H,7-8H2,1H3,(H,16,17)
InChIKeyCNERZUAJPHGPPN-UHFFFAOYSA-N
XLogP0.45
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 5074067
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181843
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone (CID 106673774) is (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone is CNc1cc(C(=O)N2CC(O)C(O)C2)c2ccccc2n1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone?
The InChIKey is CNERZUAJPHGPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-14-6-10(9-4-2-3-5-11(9)17-14)15(21)18-7-12(19)13(20)8-18/h2-6,12-13,19-20H,7-8H2,1H3,(H,16,17).
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone?
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone has a molecular weight of 287.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone is sourced from PubChem (CID 106673774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).