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

C22H26N4O4 — CID 50792211

IUPACN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1ccccc1OC)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H26N4O4/c1-6-26(7-2)16-13-18-17(24(3)21(28)22(29)25(18)4)12-15(16)23-20(27)14-10-8-9-11-19(14)30-5/h8-13H,6-7H2,1-5H3,(H,23,27)
InChIKeyATFDQVXQRDPKSI-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.34
Rot. Bonds6

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

N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide (PubChem CID 50792211) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide
PubChem CID50792211
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1ccccc1OC)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H26N4O4/c1-6-26(7-2)16-13-18-17(24(3)21(28)22(29)25(18)4)12-15(16)23-20(27)14-10-8-9-11-19(14)30-5/h8-13H,6-7H2,1-5H3,(H,23,27)
InChIKeyATFDQVXQRDPKSI-UHFFFAOYSA-N
XLogP2.34
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 50792193
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-methoxybenzamide
CID 127044824
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-methoxybenzamide
CID 23587986
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
CID 178107683
N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
CID 15990188
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792962
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide?
The IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide (CID 50792211) is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide?
The canonical SMILES for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide is CCN(CC)c1cc2c(cc1NC(=O)c1ccccc1OC)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide?
The InChIKey is ATFDQVXQRDPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-6-26(7-2)16-13-18-17(24(3)21(28)22(29)25(18)4)12-15(16)23-20(27)14-10-8-9-11-19(14)30-5/h8-13H,6-7H2,1-5H3,(H,23,27).
What are the key properties of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide?
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide has a molecular weight of 410.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide is sourced from PubChem (CID 50792211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).