7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C20H25N3O2 — CID 95551835

IUPAC7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCC[C@H](N4CCCC4=O)C3)c(=O)[nH]c2c1
InChIInChI=1S/C20H25N3O2/c1-14-6-7-15-11-16(20(25)21-18(15)10-14)12-22-8-2-4-17(13-22)23-9-3-5-19(23)24/h6-7,10-11,17H,2-5,8-9,12-13H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeySWJNHQCCSNUGNU-KRWDZBQOSA-N
MW339.44 g/mol
LogP2.42
Rot. Bonds3

About 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one

7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95551835) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95551835
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCC[C@H](N4CCCC4=O)C3)c(=O)[nH]c2c1
InChIInChI=1S/C20H25N3O2/c1-14-6-7-15-11-16(20(25)21-18(15)10-14)12-22-8-2-4-17(13-22)23-9-3-5-19(23)24/h6-7,10-11,17H,2-5,8-9,12-13H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeySWJNHQCCSNUGNU-KRWDZBQOSA-N
XLogP2.42
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
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-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056
3-[[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95221791
5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 169412322
1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 74239581
1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one
CID 56861158
3-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95228469
3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56721682
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 95551835) is 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one is Cc1ccc2cc(CN3CCC[C@H](N4CCCC4=O)C3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is SWJNHQCCSNUGNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-6-7-15-11-16(20(25)21-18(15)10-14)12-22-8-2-4-17(13-22)23-9-3-5-19(23)24/h6-7,10-11,17H,2-5,8-9,12-13H2,1H3,(H,21,25)/t17-/m0/s1.
What are the key properties of 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95551835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).