1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one

C24H26N2O3 — CID 97145566

IUPAC1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C24H26N2O3/c1-17-12-23(28)21-4-2-3-5-22(21)26(17)15-24(29)25-11-10-20(14-25)13-18-6-8-19(16-27)9-7-18/h2-9,12,20,27H,10-11,13-16H2,1H3/t20-/m0/s1
InChIKeyRNAQZFOKKVYNQP-FQEVSTJZSA-N
MW390.48 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one

1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one (PubChem CID 97145566) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
PubChem CID97145566
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C24H26N2O3/c1-17-12-23(28)21-4-2-3-5-22(21)26(17)15-24(29)25-11-10-20(14-25)13-18-6-8-19(16-27)9-7-18/h2-9,12,20,27H,10-11,13-16H2,1H3/t20-/m0/s1
InChIKeyRNAQZFOKKVYNQP-FQEVSTJZSA-N
XLogP2.89
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one with MolForge

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Related Compounds

1-[2-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 97145565
1-[2-[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 154566626
2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645
2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one
CID 91763003
1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 133132253
1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 72884888
2-[2-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
CID 86283692
(1S,5R)-3-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135101065
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995
1-[2-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methylquinolin-4-one
CID 70775292
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97121231
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The IUPAC name of 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one (CID 97145566) is 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one.
What is the SMILES notation for 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The canonical SMILES for 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one is Cc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The InChIKey is RNAQZFOKKVYNQP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17-12-23(28)21-4-2-3-5-22(21)26(17)15-24(29)25-11-10-20(14-25)13-18-6-8-19(16-27)9-7-18/h2-9,12,20,27H,10-11,13-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one has a molecular weight of 390.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one is sourced from PubChem (CID 97145566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).