3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide

C19H24IN5O2 — CID 154814702

IUPAC3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide
SMILESCc1nc(CN(C)C2CCN(Cc3cc4ccccc4[nH]c3=O)C2)no1.I
InChIInChI=1S/C19H23N5O2.HI/c1-13-20-18(22-26-13)12-23(2)16-7-8-24(11-16)10-15-9-14-5-3-4-6-17(14)21-19(15)25;/h3-6,9,16H,7-8,10-12H2,1-2H3,(H,21,25);1H
InChIKeyWHOVLBREMKDHLO-UHFFFAOYSA-N
MW481.34 g/mol
LogP2.54
Rot. Bonds5

About 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide

3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide (PubChem CID 154814702) has the molecular formula C19H24IN5O2 and a molecular weight of 481.34 g/mol. Its IUPAC name is 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide.

Molecular Properties

Compound Name3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide
PubChem CID154814702
Molecular FormulaC19H24IN5O2
Molecular Weight481.34 g/mol
Exact Mass481.10
IUPAC Name3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide
SMILESCc1nc(CN(C)C2CCN(Cc3cc4ccccc4[nH]c3=O)C2)no1.I
InChIInChI=1S/C19H23N5O2.HI/c1-13-20-18(22-26-13)12-23(2)16-7-8-24(11-16)10-15-9-14-5-3-4-6-17(14)21-19(15)25;/h3-6,9,16H,7-8,10-12H2,1-2H3,(H,21,25);1H
InChIKeyWHOVLBREMKDHLO-UHFFFAOYSA-N
XLogP2.54
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
N-methyl-3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71872721
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 166225874
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 96512063
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
(4S)-1-(1H-indazol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129344375
(3S)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512087
(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512086
(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 166601420
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol
CID 100858302

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide?
The IUPAC name of 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide (CID 154814702) is 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide.
What is the SMILES notation for 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide?
The canonical SMILES for 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide is Cc1nc(CN(C)C2CCN(Cc3cc4ccccc4[nH]c3=O)C2)no1.I.
What is the InChIKey of 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide?
The InChIKey is WHOVLBREMKDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.HI/c1-13-20-18(22-26-13)12-23(2)16-7-8-24(11-16)10-15-9-14-5-3-4-6-17(14)21-19(15)25;/h3-6,9,16H,7-8,10-12H2,1-2H3,(H,21,25);1H.
What are the key properties of 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide?
3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide has a molecular weight of 481.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide is sourced from PubChem (CID 154814702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).