1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one

C24H27N3O3 — CID 4027838

IUPAC1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
SMILESCOc1ccc(-n2c(=O)c(CCC(=O)N3CCC(C)CC3)nc3ccccc32)cc1
InChIInChI=1S/C24H27N3O3/c1-17-13-15-26(16-14-17)23(28)12-11-21-24(29)27(18-7-9-19(30-2)10-8-18)22-6-4-3-5-20(22)25-21/h3-10,17H,11-16H2,1-2H3
InChIKeyQSJQAHVBAUJUEI-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one

1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one (PubChem CID 4027838) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
PubChem CID4027838
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
SMILESCOc1ccc(-n2c(=O)c(CCC(=O)N3CCC(C)CC3)nc3ccccc32)cc1
InChIInChI=1S/C24H27N3O3/c1-17-13-15-26(16-14-17)23(28)12-11-21-24(29)27(18-7-9-19(30-2)10-8-18)22-6-4-3-5-20(22)25-21/h3-10,17H,11-16H2,1-2H3
InChIKeyQSJQAHVBAUJUEI-UHFFFAOYSA-N
XLogP3.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one (CID 4027838) is 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one is COc1ccc(-n2c(=O)c(CCC(=O)N3CCC(C)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
The InChIKey is QSJQAHVBAUJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-13-15-26(16-14-17)23(28)12-11-21-24(29)27(18-7-9-19(30-2)10-8-18)22-6-4-3-5-20(22)25-21/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one has a molecular weight of 405.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one is sourced from PubChem (CID 4027838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).