1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide

C30H32N4O2 — CID 95065840

IUPAC1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
SMILESCc1ccc(CN2CC[C@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)C2)cc1
InChIInChI=1S/C30H32N4O2/c1-21-8-10-24(11-9-21)18-33-15-14-25(19-33)17-31-29(35)26-12-13-28-27(16-26)32-22(2)30(36)34(28)20-23-6-4-3-5-7-23/h3-13,16,25H,14-15,17-20H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyVGQVGABCBGMLNO-RUZDIDTESA-N
MW480.61 g/mol
LogP4.31
Rot. Bonds7

About 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide

1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide (PubChem CID 95065840) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
PubChem CID95065840
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
SMILESCc1ccc(CN2CC[C@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)C2)cc1
InChIInChI=1S/C30H32N4O2/c1-21-8-10-24(11-9-21)18-33-15-14-25(19-33)17-31-29(35)26-12-13-28-27(16-26)32-22(2)30(36)34(28)20-23-6-4-3-5-7-23/h3-13,16,25H,14-15,17-20H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyVGQVGABCBGMLNO-RUZDIDTESA-N
XLogP4.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324731
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide
CID 92883104
1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345
1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
CID 95065821
1-benzyl-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 53058393
1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 53058343
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide (CID 95065840) is 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide is Cc1ccc(CN2CC[C@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide?
The InChIKey is VGQVGABCBGMLNO-RUZDIDTESA-N. The full InChI is InChI=1S/C30H32N4O2/c1-21-8-10-24(11-9-21)18-33-15-14-25(19-33)17-31-29(35)26-12-13-28-27(16-26)32-22(2)30(36)34(28)20-23-6-4-3-5-7-23/h3-13,16,25H,14-15,17-20H2,1-2H3,(H,31,35)/t25-/m1/s1.
What are the key properties of 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide?
1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 95065840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).