N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide

C24H28N4O3 — CID 50792225

IUPACN-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C24H28N4O3/c1-15-9-11-28(12-10-15)19-14-21-20(26(3)23(30)24(31)27(21)4)13-18(19)25-22(29)17-8-6-5-7-16(17)2/h5-8,13-15H,9-12H2,1-4H3,(H,25,29)
InChIKeyBULHELZDBHUINO-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.03
Rot. Bonds3

About N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide

N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide (PubChem CID 50792225) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
PubChem CID50792225
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C24H28N4O3/c1-15-9-11-28(12-10-15)19-14-21-20(26(3)23(30)24(31)27(21)4)13-18(19)25-22(29)17-8-6-5-7-16(17)2/h5-8,13-15H,9-12H2,1-4H3,(H,25,29)
InChIKeyBULHELZDBHUINO-UHFFFAOYSA-N
XLogP3.03
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
CID 50881063
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
3-[(2-methylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053611
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide
CID 50792271
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 41156605
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 18525283
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 3890759
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide?
The IUPAC name of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide (CID 50792225) is N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide?
The canonical SMILES for N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide?
The InChIKey is BULHELZDBHUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-9-11-28(12-10-15)19-14-21-20(26(3)23(30)24(31)27(21)4)13-18(19)25-22(29)17-8-6-5-7-16(17)2/h5-8,13-15H,9-12H2,1-4H3,(H,25,29).
What are the key properties of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide?
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide is sourced from PubChem (CID 50792225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).