3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

C16H20N2O2 — CID 110019820

IUPAC3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCC(O)C1CCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C16H20N2O2/c1-11(19)13-6-7-18(9-13)10-14-8-12-4-2-3-5-15(12)17-16(14)20/h2-5,8,11,13,19H,6-7,9-10H2,1H3,(H,17,20)
InChIKeyLRDPYDACSUEKQS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds3

About 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 110019820) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID110019820
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCC(O)C1CCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C16H20N2O2/c1-11(19)13-6-7-18(9-13)10-14-8-12-4-2-3-5-15(12)17-16(14)20/h2-5,8,11,13,19H,6-7,9-10H2,1H3,(H,17,20)
InChIKeyLRDPYDACSUEKQS-UHFFFAOYSA-N
XLogP1.73
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115967098
3-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110362987
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95197872
1-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]benzo[f]chromen-3-one
CID 110020186
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide
CID 154814702
3-[[4-(2-methylpropyl)-5-oxo-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 126464222
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 110019820) is 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is CC(O)C1CCN(Cc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is LRDPYDACSUEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(19)13-6-7-18(9-13)10-14-8-12-4-2-3-5-15(12)17-16(14)20/h2-5,8,11,13,19H,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 110019820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).