N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide

C30H28N6O — CID 177349687

IUPACN-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C30H28N6O/c1-2-28(37)33-23-12-14-36(15-13-23)18-20-8-10-22(11-9-20)30-29(21-6-4-3-5-7-21)34-26-16-24-25(32-19-31-24)17-27(26)35-30/h2-11,16-17,19,23,35H,1,12-15,18H2,(H,33,37)
InChIKeyUITXHNULEPGWLX-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.11
Rot. Bonds6

About N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide

N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide (PubChem CID 177349687) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
PubChem CID177349687
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC NameN-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C30H28N6O/c1-2-28(37)33-23-12-14-36(15-13-23)18-20-8-10-22(11-9-20)30-29(21-6-4-3-5-7-21)34-26-16-24-25(32-19-31-24)17-27(26)35-30/h2-11,16-17,19,23,35H,1,12-15,18H2,(H,33,37)
InChIKeyUITXHNULEPGWLX-UHFFFAOYSA-N
XLogP5.11
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline
CID 177349566
(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide
CID 44534666
4-[[1-[[4-(7-phenyl-6H-imidazo[4,5-h]quinoxalin-8-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349509
2-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-N,N-dimethyl-3-phenyl-1,6-naphthyridine-7-carboxamide;ethane;3-formyl-4-hydroxy-N-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]benzamide
CID 177349725
N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 146256746
N-(1-benzylpiperidin-4-yl)-3-[4-chloro-3-[4-methyl-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]benzamide
CID 146401500
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(6-tert-butyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide
CID 44534688
N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155344254
N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721
2-phenyl-3-[4-[[3-(1,3-thiazole-5-carbonylamino)pyrrolidin-1-yl]methyl]phenyl]quinoxaline-6-carboxylic acid
CID 21103138
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide (CID 177349687) is N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(Cc2ccc(-c3[nH]c4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The InChIKey is UITXHNULEPGWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-2-28(37)33-23-12-14-36(15-13-23)18-20-8-10-22(11-9-20)30-29(21-6-4-3-5-7-21)34-26-16-24-25(32-19-31-24)17-27(26)35-30/h2-11,16-17,19,23,35H,1,12-15,18H2,(H,33,37).
What are the key properties of N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide has a molecular weight of 488.60 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 177349687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).