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

C24H26N2O3 — CID 46230001

IUPAC4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(C)CC4)c3)cc12
InChIInChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27)
InChIKeyYWDSBJTXXAHGQP-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.29
Rot. Bonds4

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

4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one (PubChem CID 46230001) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
PubChem CID46230001
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(C)CC4)c3)cc12
InChIInChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27)
InChIKeyYWDSBJTXXAHGQP-UHFFFAOYSA-N
XLogP4.29
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one (CID 46230001) is 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(C)CC4)c3)cc12.
What is the InChIKey of 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The InChIKey is YWDSBJTXXAHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one has a molecular weight of 390.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 46230001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).