ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate

C24H23BrN4O3 — CID 126295526

IUPACethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c2ccccc21
InChIInChI=1S/C24H23BrN4O3/c1-4-22-27-20-11-10-16(25)12-18(20)24(31)29(22)26-13-19-15(3)28(14-23(30)32-5-2)21-9-7-6-8-17(19)21/h6-13H,4-5,14H2,1-3H3
InChIKeyMFMDTGXQNVUEJX-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.43
Rot. Bonds6

About ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate

ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate (PubChem CID 126295526) has the molecular formula C24H23BrN4O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate
PubChem CID126295526
Molecular FormulaC24H23BrN4O3
Molecular Weight495.38 g/mol
Exact Mass494.10
IUPAC Nameethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c2ccccc21
InChIInChI=1S/C24H23BrN4O3/c1-4-22-27-20-11-10-16(25)12-18(20)24(31)29(22)26-13-19-15(3)28(14-23(30)32-5-2)21-9-7-6-8-17(19)21/h6-13H,4-5,14H2,1-3H3
InChIKeyMFMDTGXQNVUEJX-UHFFFAOYSA-N
XLogP4.43
TPSA78.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate 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

ethyl (2S)-2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]propanoate
CID 126296803
2-[3-[[6-bromo-2-[(2R)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetamide
CID 126326689
4-[[3-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]methyl]benzoic acid
CID 126319550
ethyl 2-[3-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]indol-1-yl]acetate
CID 126306934
ethyl (2R)-2-[1-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoate
CID 126292505
6-bromo-2-[(2R)-butan-2-yl]-3-[[2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]quinazolin-4-one
CID 126328490
ethyl 2-[2-methyl-3-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]indol-1-yl]acetate
CID 126293032
6-bromo-2-butyl-3-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
CID 126321092
2-[3-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetonitrile
CID 126314886
2-[3-[[6-bromo-2-[(2S)-butan-2-yl]-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]-N-(2-methylphenyl)acetamide
CID 126325111
ethyl (2R)-2-[3-[(6-bromo-2-tert-butyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]propanoate
CID 126313304
(2S)-2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]indol-1-yl]propanoic acid
CID 126311276

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate (CID 126295526) is ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate is CCOC(=O)Cn1c(C)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate?
The InChIKey is MFMDTGXQNVUEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O3/c1-4-22-27-20-11-10-16(25)12-18(20)24(31)29(22)26-13-19-15(3)28(14-23(30)32-5-2)21-9-7-6-8-17(19)21/h6-13H,4-5,14H2,1-3H3.
What are the key properties of ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate?
ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate has a molecular weight of 495.38 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetate is sourced from PubChem (CID 126295526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).