3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one

C19H22N4O3 — CID 156611385

IUPAC3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CC(CO)C(c4nc(C)no4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O3/c1-11-3-4-13-6-14(18(25)21-17(13)5-11)7-23-8-15(10-24)16(9-23)19-20-12(2)22-26-19/h3-6,15-16,24H,7-10H2,1-2H3,(H,21,25)
InChIKeyKONHKUIZBZFLGB-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.74
Rot. Bonds4

About 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one

3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 156611385) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID156611385
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CC(CO)C(c4nc(C)no4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O3/c1-11-3-4-13-6-14(18(25)21-17(13)5-11)7-23-8-15(10-24)16(9-23)19-20-12(2)22-26-19/h3-6,15-16,24H,7-10H2,1-2H3,(H,21,25)
InChIKeyKONHKUIZBZFLGB-UHFFFAOYSA-N
XLogP1.74
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 110202984
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
3-[[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56748014
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 56701960
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
3-[[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95221791
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110203009
5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 169412322

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one (CID 156611385) is 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CN3CC(CO)C(c4nc(C)no4)C3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is KONHKUIZBZFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-3-4-13-6-14(18(25)21-17(13)5-11)7-23-8-15(10-24)16(9-23)19-20-12(2)22-26-19/h3-6,15-16,24H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 156611385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).