1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea

C24H29N5O2 — CID 50837429

IUPAC1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCCCn1c(=O)c(N2CCC(NC(=O)Nc3ccccc3C)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O2/c1-3-14-29-21-11-7-6-10-20(21)26-22(23(29)30)28-15-12-18(13-16-28)25-24(31)27-19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H2,25,27,31)
InChIKeyHPVURGXDUMXCLS-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea

1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea (PubChem CID 50837429) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
PubChem CID50837429
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCCCn1c(=O)c(N2CCC(NC(=O)Nc3ccccc3C)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O2/c1-3-14-29-21-11-7-6-10-20(21)26-22(23(29)30)28-15-12-18(13-16-28)25-24(31)27-19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H2,25,27,31)
InChIKeyHPVURGXDUMXCLS-UHFFFAOYSA-N
XLogP3.91
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea (CID 50837429) is 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea is CCCn1c(=O)c(N2CCC(NC(=O)Nc3ccccc3C)CC2)nc2ccccc21.
What is the InChIKey of 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
The InChIKey is HPVURGXDUMXCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-14-29-21-11-7-6-10-20(21)26-22(23(29)30)28-15-12-18(13-16-28)25-24(31)27-19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H2,25,27,31).
What are the key properties of 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea has a molecular weight of 419.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 50837429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).