1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea

C24H29N5O4 — CID 46393118

IUPAC1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCCn1c(=O)c(N2CCC(NC(=O)Nc3ccc(OC)cc3OC)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O4/c1-4-29-20-8-6-5-7-18(20)26-22(23(29)30)28-13-11-16(12-14-28)25-24(31)27-19-10-9-17(32-2)15-21(19)33-3/h5-10,15-16H,4,11-14H2,1-3H3,(H2,25,27,31)
InChIKeyATLPAHXLPLQVDL-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.22
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea

1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea (PubChem CID 46393118) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
PubChem CID46393118
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCCn1c(=O)c(N2CCC(NC(=O)Nc3ccc(OC)cc3OC)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O4/c1-4-29-20-8-6-5-7-18(20)26-22(23(29)30)28-13-11-16(12-14-28)25-24(31)27-19-10-9-17(32-2)15-21(19)33-3/h5-10,15-16H,4,11-14H2,1-3H3,(H2,25,27,31)
InChIKeyATLPAHXLPLQVDL-UHFFFAOYSA-N
XLogP3.22
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyphenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393180
1-(2-methylphenyl)-3-[1-(3-oxo-4-propylquinoxalin-2-yl)piperidin-4-yl]urea
CID 50837429
1-[(3-methoxyphenyl)methyl]-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837412
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
(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 92888922
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30444897
N-(2,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194313
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
CID 92735175
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea (CID 46393118) is 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea is CCn1c(=O)c(N2CCC(NC(=O)Nc3ccc(OC)cc3OC)CC2)nc2ccccc21.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
The InChIKey is ATLPAHXLPLQVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-4-29-20-8-6-5-7-18(20)26-22(23(29)30)28-13-11-16(12-14-28)25-24(31)27-19-10-9-17(32-2)15-21(19)33-3/h5-10,15-16H,4,11-14H2,1-3H3,(H2,25,27,31).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea?
1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea has a molecular weight of 451.53 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 46393118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).