N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide

C21H23N5O2 — CID 110407085

IUPACN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(=O)Nc3ccc(N(C)C)cc3)cc2nc1C
InChIInChI=1S/C21H23N5O2/c1-13-14(2)24-19-11-15(5-10-18(19)23-13)21(28)22-12-20(27)25-16-6-8-17(9-7-16)26(3)4/h5-11H,12H2,1-4H3,(H,22,28)(H,25,27)
InChIKeyNARMGIMMKHXRFN-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.68
Rot. Bonds5

About N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110407085) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110407085
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(=O)Nc3ccc(N(C)C)cc3)cc2nc1C
InChIInChI=1S/C21H23N5O2/c1-13-14(2)24-19-11-15(5-10-18(19)23-13)21(28)22-12-20(27)25-16-6-8-17(9-7-16)26(3)4/h5-11H,12H2,1-4H3,(H,22,28)(H,25,27)
InChIKeyNARMGIMMKHXRFN-UHFFFAOYSA-N
XLogP2.68
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110305572
tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916963
2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
CID 47066065
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919874
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-1,3-benzothiazole-6-carboxamide
CID 100787369
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413609
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110407085) is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCC(=O)Nc3ccc(N(C)C)cc3)cc2nc1C.
What is the InChIKey of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is NARMGIMMKHXRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-14(2)24-19-11-15(5-10-18(19)23-13)21(28)22-12-20(27)25-16-6-8-17(9-7-16)26(3)4/h5-11H,12H2,1-4H3,(H,22,28)(H,25,27).
What are the key properties of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110407085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).