N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C20H21ClN4O3 — CID 52819475

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C20H21ClN4O3/c1-24(2)9-10-25(12-13-3-6-15(21)7-4-13)20(28)14-5-8-16-17(11-14)23-19(27)18(26)22-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyPSEGEELNNWVMQY-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.07
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 52819475) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID52819475
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C20H21ClN4O3/c1-24(2)9-10-25(12-13-3-6-15(21)7-4-13)20(28)14-5-8-16-17(11-14)23-19(27)18(26)22-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyPSEGEELNNWVMQY-UHFFFAOYSA-N
XLogP2.07
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
CID 60598670
N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193943
4-chloro-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2987726
1-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-prop-2-enylurea
CID 86862868
3,5-dichloro-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 55717517
N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide
CID 113379794
N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
CID 71865976
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55779819
4-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 55717266
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 52819475) is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is PSEGEELNNWVMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-24(2)9-10-25(12-13-3-6-15(21)7-4-13)20(28)14-5-8-16-17(11-14)23-19(27)18(26)22-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 52819475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).