N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide

C29H31N5O2 — CID 53070136

IUPACN-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)nc3ccccc32)cc1
InChIInChI=1S/C29H31N5O2/c1-20-8-11-23(12-9-20)19-34-26-7-5-4-6-25(26)30-27(28(34)35)32-14-16-33(17-15-32)29(36)31-24-13-10-21(2)18-22(24)3/h4-13,18H,14-17,19H2,1-3H3,(H,31,36)
InChIKeyICJLPBBTQHFLRA-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.72
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide

N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide (PubChem CID 53070136) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
PubChem CID53070136
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)nc3ccccc32)cc1
InChIInChI=1S/C29H31N5O2/c1-20-8-11-23(12-9-20)19-34-26-7-5-4-6-25(26)30-27(28(34)35)32-14-16-33(17-15-32)29(36)31-24-13-10-21(2)18-22(24)3/h4-13,18H,14-17,19H2,1-3H3,(H,31,36)
InChIKeyICJLPBBTQHFLRA-UHFFFAOYSA-N
XLogP4.72
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide
CID 50805246
N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53062578
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070091
N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 53043840
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 30445985
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide (CID 53070136) is N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)nc3ccccc32)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide?
The InChIKey is ICJLPBBTQHFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-20-8-11-23(12-9-20)19-34-26-7-5-4-6-25(26)30-27(28(34)35)32-14-16-33(17-15-32)29(36)31-24-13-10-21(2)18-22(24)3/h4-13,18H,14-17,19H2,1-3H3,(H,31,36).
What are the key properties of N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide?
N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53070136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).