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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Related Compounds

1-(2-methylphenyl)-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837512
1-(3-bromophenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
CID 50837447
1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393118
1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393180
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
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-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
1-(3-chloro-2-methylphenyl)-3-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 53021749
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-(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).