6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one

C19H25N3O — CID 97137726

IUPAC6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CC[C@H](N4CCCC4)C3)cc(=O)c2c1
InChIInChI=1S/C19H25N3O/c1-14-4-5-18-17(10-14)19(23)11-15(20-18)12-21-9-6-16(13-21)22-7-2-3-8-22/h4-5,10-11,16H,2-3,6-9,12-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyLHSDUSPFLZWCKD-INIZCTEOSA-N
MW311.43 g/mol
LogP2.51
Rot. Bonds3

About 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one

6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 97137726) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID97137726
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CC[C@H](N4CCCC4)C3)cc(=O)c2c1
InChIInChI=1S/C19H25N3O/c1-14-4-5-18-17(10-14)19(23)11-15(20-18)12-21-9-6-16(13-21)22-7-2-3-8-22/h4-5,10-11,16H,2-3,6-9,12-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyLHSDUSPFLZWCKD-INIZCTEOSA-N
XLogP2.51
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
CID 72848669
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-6-fluoro-1H-quinolin-4-one
CID 156604880
(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 124906654
2-[[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 133124192
2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 72879344
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one
CID 72936620
2-[[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97154666
6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 72872414
4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980205
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one (CID 97137726) is 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3CC[C@H](N4CCCC4)C3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is LHSDUSPFLZWCKD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-4-5-18-17(10-14)19(23)11-15(20-18)12-21-9-6-16(13-21)22-7-2-3-8-22/h4-5,10-11,16H,2-3,6-9,12-13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 311.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97137726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).