2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one

C24H31N3OSi — CID 102068830

IUPAC2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1N1[C@@H](c2ccccc2)[C@@H]1[Si](CC)(CC)CC
InChIInChI=1S/C24H31N3OSi/c1-5-21-25-20-17-13-12-16-19(20)23(28)26(21)27-22(18-14-10-9-11-15-18)24(27)29(6-2,7-3)8-4/h9-17,22,24H,5-8H2,1-4H3/t22-,24-,27?/m0/s1
InChIKeyDDRDLAKATORUGX-ZRUXRWDSSA-N
MW405.62 g/mol
LogP5.07
Rot. Bonds7

About 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one

2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one (PubChem CID 102068830) has the molecular formula C24H31N3OSi and a molecular weight of 405.62 g/mol. Its IUPAC name is 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one
PubChem CID102068830
Molecular FormulaC24H31N3OSi
Molecular Weight405.62 g/mol
Exact Mass405.22
IUPAC Name2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1N1[C@@H](c2ccccc2)[C@@H]1[Si](CC)(CC)CC
InChIInChI=1S/C24H31N3OSi/c1-5-21-25-20-17-13-12-16-19(20)23(28)26(21)27-22(18-14-10-9-11-15-18)24(27)29(6-2,7-3)8-4/h9-17,22,24H,5-8H2,1-4H3/t22-,24-,27?/m0/s1
InChIKeyDDRDLAKATORUGX-ZRUXRWDSSA-N
XLogP5.07
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one with MolForge

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Related Compounds

ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(dimethylamino)-2-ethylquinazolin-4-one
CID 10680290
(2-ethyl-4-oxoquinazolin-3-yl)thiourea
CID 12516860
2-ethyl-3-pentylquinazolin-4-one
CID 529110
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-ethyl-3-[(2-methylpropan-2-yl)oxyamino]quinazolin-4-one
CID 10659082
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one (CID 102068830) is 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one is CCc1nc2ccccc2c(=O)n1N1[C@@H](c2ccccc2)[C@@H]1[Si](CC)(CC)CC.
What is the InChIKey of 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one?
The InChIKey is DDRDLAKATORUGX-ZRUXRWDSSA-N. The full InChI is InChI=1S/C24H31N3OSi/c1-5-21-25-20-17-13-12-16-19(20)23(28)26(21)27-22(18-14-10-9-11-15-18)24(27)29(6-2,7-3)8-4/h9-17,22,24H,5-8H2,1-4H3/t22-,24-,27?/m0/s1.
What are the key properties of 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one?
2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one has a molecular weight of 405.62 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(2S,3S)-2-phenyl-3-triethylsilylaziridin-1-yl]quinazolin-4-one is sourced from PubChem (CID 102068830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).