5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one

C20H21N3O — CID 169418552

IUPAC5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(=O)[nH]c2)nc2ccc(CN3CCCC3)cc12
InChIInChI=1S/C20H21N3O/c1-14-10-19(16-5-7-20(24)21-12-16)22-18-6-4-15(11-17(14)18)13-23-8-2-3-9-23/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,24)
InChIKeyDPBCYYLLKIUFDY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.49
Rot. Bonds3

About 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one

5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one (PubChem CID 169418552) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one
PubChem CID169418552
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(=O)[nH]c2)nc2ccc(CN3CCCC3)cc12
InChIInChI=1S/C20H21N3O/c1-14-10-19(16-5-7-20(24)21-12-16)22-18-6-4-15(11-17(14)18)13-23-8-2-3-9-23/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,24)
InChIKeyDPBCYYLLKIUFDY-UHFFFAOYSA-N
XLogP3.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol
CID 169415857
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CID 169421854
4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283442
4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine
CID 170502682
2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169411675
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699395
N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline
CID 171708321
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1H-pyridin-2-one;ethane
CID 171495365
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one (CID 169418552) is 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one is Cc1cc(-c2ccc(=O)[nH]c2)nc2ccc(CN3CCCC3)cc12.
What is the InChIKey of 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one?
The InChIKey is DPBCYYLLKIUFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-10-19(16-5-7-20(24)21-12-16)22-18-6-4-15(11-17(14)18)13-23-8-2-3-9-23/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,24).
What are the key properties of 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one?
5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 169418552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).