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

C23H26BrN5O2 — CID 50837447

IUPAC1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCCCn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Br)c3)CC2)nc2ccccc21
InChIInChI=1S/C23H26BrN5O2/c1-2-12-29-20-9-4-3-8-19(20)27-21(22(29)30)28-13-10-17(11-14-28)25-23(31)26-18-7-5-6-16(24)15-18/h3-9,15,17H,2,10-14H2,1H3,(H2,25,26,31)
InChIKeyZPPNPTOLNKOXGB-UHFFFAOYSA-N
MW484.40 g/mol
LogP4.36
Rot. Bonds5

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

1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea (PubChem CID 50837447) has the molecular formula C23H26BrN5O2 and a molecular weight of 484.40 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
PubChem CID50837447
Molecular FormulaC23H26BrN5O2
Molecular Weight484.40 g/mol
Exact Mass483.13
IUPAC Name1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCCCn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Br)c3)CC2)nc2ccccc21
InChIInChI=1S/C23H26BrN5O2/c1-2-12-29-20-9-4-3-8-19(20)27-21(22(29)30)28-13-10-17(11-14-28)25-23(31)26-18-7-5-6-16(24)15-18/h3-9,15,17H,2,10-14H2,1H3,(H2,25,26,31)
InChIKeyZPPNPTOLNKOXGB-UHFFFAOYSA-N
XLogP4.36
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
CID 50837429
ethyl 3-[[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]carbamoylamino]benzoate
CID 46393187
1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393184
1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393118
1-(2-methylphenyl)-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837512
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393180
1-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-3-phenylurea
CID 86946136
1-[(3-methoxyphenyl)methyl]-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837412
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
N-cyclohexyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951544

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea (CID 50837447) is 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea is CCCn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Br)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
The InChIKey is ZPPNPTOLNKOXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5O2/c1-2-12-29-20-9-4-3-8-19(20)27-21(22(29)30)28-13-10-17(11-14-28)25-23(31)26-18-7-5-6-16(24)15-18/h3-9,15,17H,2,10-14H2,1H3,(H2,25,26,31).
What are the key properties of 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea?
1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea has a molecular weight of 484.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 50837447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).