3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

C21H22N2O2 — CID 56710630

IUPAC3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN3CCC(O)(c4ccccc4)C3)cc2c1
InChIInChI=1S/C21H22N2O2/c1-15-7-8-19-16(11-15)12-17(20(24)22-19)13-23-10-9-21(25,14-23)18-5-3-2-4-6-18/h2-8,11-12,25H,9-10,13-14H2,1H3,(H,22,24)
InChIKeyZAPMAZUPIIINIL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.93
Rot. Bonds3

About 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 56710630) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID56710630
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN3CCC(O)(c4ccccc4)C3)cc2c1
InChIInChI=1S/C21H22N2O2/c1-15-7-8-19-16(11-15)12-17(20(24)22-19)13-23-10-9-21(25,14-23)18-5-3-2-4-6-18/h2-8,11-12,25H,9-10,13-14H2,1H3,(H,22,24)
InChIKeyZAPMAZUPIIINIL-UHFFFAOYSA-N
XLogP2.93
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 70740281
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166267205
(3S)-3-amino-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95229329
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56719778
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 135101410
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 1459301
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (CID 56710630) is 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN3CCC(O)(c4ccccc4)C3)cc2c1.
What is the InChIKey of 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is ZAPMAZUPIIINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-7-8-19-16(11-15)12-17(20(24)22-19)13-23-10-9-21(25,14-23)18-5-3-2-4-6-18/h2-8,11-12,25H,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 56710630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).