7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one

C23H17N3OS — CID 102071071

IUPAC7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(-c3ccccc3)s/c(=N\c3ccccc3)n12
InChIInChI=1S/C23H17N3OS/c1-15-12-13-19-18(14-15)25-22(27)20-21(16-8-4-2-5-9-16)28-23(26(19)20)24-17-10-6-3-7-11-17/h2-14H,1H3,(H,25,27)/b24-23-
InChIKeyLYQVYLQNDLUJLA-VHXPQNKSSA-N
MW383.48 g/mol
LogP5.05
Rot. Bonds2

About 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one

7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one (PubChem CID 102071071) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one
PubChem CID102071071
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(-c3ccccc3)s/c(=N\c3ccccc3)n12
InChIInChI=1S/C23H17N3OS/c1-15-12-13-19-18(14-15)25-22(27)20-21(16-8-4-2-5-9-16)28-23(26(19)20)24-17-10-6-3-7-11-17/h2-14H,1H3,(H,25,27)/b24-23-
InChIKeyLYQVYLQNDLUJLA-VHXPQNKSSA-N
XLogP5.05
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine
CID 14690176
4,7-dimethyl-1H-quinoxaline-2,3-dione
CID 18788081
N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide
CID 5183904
3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 155805186
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353
2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one
CID 177414368
6-methyl-2,3-diphenyl-1-benzothiophene
CID 13027057
7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170844
N,N-dimethyl-1-(3-methylphenyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198935
3-methyl-5H-phenanthridin-6-one
CID 59877971
N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide
CID 68702543
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one?
The IUPAC name of 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one (CID 102071071) is 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one.
What is the SMILES notation for 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one?
The canonical SMILES for 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one is Cc1ccc2c(c1)[nH]c(=O)c1c(-c3ccccc3)s/c(=N\c3ccccc3)n12.
What is the InChIKey of 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one?
The InChIKey is LYQVYLQNDLUJLA-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-15-12-13-19-18(14-15)25-22(27)20-21(16-8-4-2-5-9-16)28-23(26(19)20)24-17-10-6-3-7-11-17/h2-14H,1H3,(H,25,27)/b24-23-.
What are the key properties of 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one?
7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one has a molecular weight of 383.48 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one is sourced from PubChem (CID 102071071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).