4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one

C23H22N2O4 — CID 46229958

IUPAC4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(=O)CC4)c3)cc12
InChIInChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27)
InChIKeyXUMIPJIUZHIYFQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.22
Rot. Bonds4

About 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one

4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one (PubChem CID 46229958) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
PubChem CID46229958
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(=O)CC4)c3)cc12
InChIInChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27)
InChIKeyXUMIPJIUZHIYFQ-UHFFFAOYSA-N
XLogP3.22
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one (CID 46229958) is 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(=O)CC4)c3)cc12.
What is the InChIKey of 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The InChIKey is XUMIPJIUZHIYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27).
What are the key properties of 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one has a molecular weight of 390.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 46229958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).