2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one

C19H26ClN5O2Si — CID 154441350

IUPAC2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one
SMILESC[C@H](N)c1nc2cccc(Cl)c2c(=O)n1-c1cn(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C19H26ClN5O2Si/c1-13(21)18-23-15-7-5-6-14(20)17(15)19(26)25(18)16-10-24(11-22-16)12-27-8-9-28(2,3)4/h5-7,10-11,13H,8-9,12,21H2,1-4H3/t13-/m0/s1
InChIKeyQNWUAPWOOATPEK-ZDUSSCGKSA-N
MW419.99 g/mol
LogP3.57
Rot. Bonds7

About 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one

2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one (PubChem CID 154441350) has the molecular formula C19H26ClN5O2Si and a molecular weight of 419.99 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one
PubChem CID154441350
Molecular FormulaC19H26ClN5O2Si
Molecular Weight419.99 g/mol
Exact Mass419.15
IUPAC Name2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one
SMILESC[C@H](N)c1nc2cccc(Cl)c2c(=O)n1-c1cn(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C19H26ClN5O2Si/c1-13(21)18-23-15-7-5-6-14(20)17(15)19(26)25(18)16-10-24(11-22-16)12-27-8-9-28(2,3)4/h5-7,10-11,13H,8-9,12,21H2,1-4H3/t13-/m0/s1
InChIKeyQNWUAPWOOATPEK-ZDUSSCGKSA-N
XLogP3.57
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.99
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one 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

2,4-diamino-6-[[(1S)-1-[5-chloro-4-oxo-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 131744859
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
2-[(1S)-1-aminoethyl]-5-chloro-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118575357
2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
N-[[3-[2-[(1S)-1-aminoethyl]-5-chloro-4-oxoquinazolin-3-yl]phenyl]methyl]-N-methylmethanesulfonamide
CID 90232633
2-[(1S)-1-aminoethyl]-5-chloro-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]quinazolin-4-one
CID 118572548
2-(1-aminoethyl)-5-chloro-3-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-one
CID 118573848
1-[2-[2-[(1S)-1-aminoethyl]-5-chloro-4-oxoquinazolin-3-yl]-4-methylphenyl]-3-ethylurea
CID 118571521
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
CID 118574062

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one (CID 154441350) is 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one is C[C@H](N)c1nc2cccc(Cl)c2c(=O)n1-c1cn(COCC[Si](C)(C)C)cn1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one?
The InChIKey is QNWUAPWOOATPEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26ClN5O2Si/c1-13(21)18-23-15-7-5-6-14(20)17(15)19(26)25(18)16-10-24(11-22-16)12-27-8-9-28(2,3)4/h5-7,10-11,13H,8-9,12,21H2,1-4H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one?
2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one has a molecular weight of 419.99 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one is sourced from PubChem (CID 154441350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).