N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide

C21H22N4O — CID 10545553

IUPACN,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C21H22N4O/c1-21(2)19-18(15-10-6-5-7-11-15)22-14-24(19)16-12-8-9-13-17(16)25(21)20(26)23(3)4/h5-14H,1-4H3
InChIKeySKTUUFGKYCXMDW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.28
Rot. Bonds1

About N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide

N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10545553) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10545553
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C21H22N4O/c1-21(2)19-18(15-10-6-5-7-11-15)22-14-24(19)16-12-8-9-13-17(16)25(21)20(26)23(3)4/h5-14H,1-4H3
InChIKeySKTUUFGKYCXMDW-UHFFFAOYSA-N
XLogP4.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Eapb-0203
CID 24779760
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329407
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329410
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyrimidin-2-one
CID 5329411
1,3-diethyl-5-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647078
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
3-(4-Fluorophenyl)-4,5-dihydro-5-[(pyrrolidino)carbonyl]imidazo[1,5-a]quinoxaline
CID 10570627
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
CID 735650
1-Benzyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidazole
CID 2773189

Frequently Asked Questions

What is the IUPAC name of N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide (CID 10545553) is N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide is CN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccccc3)c2C1(C)C.
What is the InChIKey of N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is SKTUUFGKYCXMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-21(2)19-18(15-10-6-5-7-11-15)22-14-24(19)16-12-8-9-13-17(16)25(21)20(26)23(3)4/h5-14H,1-4H3.
What are the key properties of N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide?
N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10545553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).