ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate

C13H13N5O3 — CID 142115534

IUPACethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate
SMILESCCOC(=O)c1nc2ccc3nc(N)n(C)c3c2c(=O)[nH]1
InChIInChI=1S/C13H13N5O3/c1-3-21-12(20)10-15-6-4-5-7-9(8(6)11(19)17-10)18(2)13(14)16-7/h4-5H,3H2,1-2H3,(H2,14,16)(H,15,17,19)
InChIKeyFFFWRLIDFBAJCY-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.57
Rot. Bonds2

About ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate

ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate (PubChem CID 142115534) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate
PubChem CID142115534
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Nameethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate
SMILESCCOC(=O)c1nc2ccc3nc(N)n(C)c3c2c(=O)[nH]1
InChIInChI=1S/C13H13N5O3/c1-3-21-12(20)10-15-6-4-5-7-9(8(6)11(19)17-10)18(2)13(14)16-7/h4-5H,3H2,1-2H3,(H2,14,16)(H,15,17,19)
InChIKeyFFFWRLIDFBAJCY-UHFFFAOYSA-N
XLogP0.57
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate 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 6-bromo-4-oxo-3H-quinazoline-2-carboxylate
CID 135726667
ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 10584131
ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate
CID 70140706
ethyl 6-methylsulfonyl-1H-benzimidazole-2-carboxylate
CID 63357941
2-ethoxycarbonyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 59652388
ethyl 5-(hydroxymethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 58103676
ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate
CID 135518168
ethyl 5-benzyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 59298640
ethyl 4-oxo-3H-pyrimido[4,5-b]quinoline-2-carboxylate
CID 135765023
ethyl 5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 59298610
ethyl 5-methyl-4-oxo-6-pentyl-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 13194302
ethyl 7-amino-1-methylbenzimidazole-2-carboxylate
CID 131268180

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate?
The IUPAC name of ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate (CID 142115534) is ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate?
The canonical SMILES for ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate is CCOC(=O)c1nc2ccc3nc(N)n(C)c3c2c(=O)[nH]1.
What is the InChIKey of ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate?
The InChIKey is FFFWRLIDFBAJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-3-21-12(20)10-15-6-4-5-7-9(8(6)11(19)17-10)18(2)13(14)16-7/h4-5H,3H2,1-2H3,(H2,14,16)(H,15,17,19).
What are the key properties of ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate?
ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate is sourced from PubChem (CID 142115534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).