7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C21H27N3O2 — CID 56751376

IUPAC7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCCC(C(=O)N4CCCC4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C21H27N3O2/c1-15-6-7-16-12-18(20(25)22-19(16)11-15)14-23-8-4-5-17(13-23)21(26)24-9-2-3-10-24/h6-7,11-12,17H,2-5,8-10,13-14H2,1H3,(H,22,25)
InChIKeyLPICUNRDVQPLSJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.67
Rot. Bonds3

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

7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 56751376) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID56751376
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCCC(C(=O)N4CCCC4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C21H27N3O2/c1-15-6-7-16-12-18(20(25)22-19(16)11-15)14-23-8-4-5-17(13-23)21(26)24-9-2-3-10-24/h6-7,11-12,17H,2-5,8-10,13-14H2,1H3,(H,22,25)
InChIKeyLPICUNRDVQPLSJ-UHFFFAOYSA-N
XLogP2.67
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
6-methyl-3-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56702126
6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95190113
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 169412322
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 56751376) is 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is Cc1ccc2cc(CN3CCCC(C(=O)N4CCCC4)C3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is LPICUNRDVQPLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-6-7-16-12-18(20(25)22-19(16)11-15)14-23-8-4-5-17(13-23)21(26)24-9-2-3-10-24/h6-7,11-12,17H,2-5,8-10,13-14H2,1H3,(H,22,25).
What are the key properties of 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56751376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).